2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide

C23H46N8O — CID 162462824

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(N2CCCCC2)N1
InChIInChI=1S/C23H46N8O/c1-15(2)19-11-17(12-20(28-19)30-8-4-3-5-9-30)27-22-18(21(25)32)13-26-23(29-22)31-10-6-7-16(24)14-31/h15-20,22-23,26-29H,3-14,24H2,1-2H3,(H2,25,32)/t16-,17?,18?,19?,20?,22?,23?/m0/s1
InChIKeyLVSHGADLSJGKAF-SATILHMASA-N
MW450.68 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462824) has the molecular formula C23H46N8O and a molecular weight of 450.68 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
PubChem CID162462824
Molecular FormulaC23H46N8O
Molecular Weight450.68 g/mol
Exact Mass450.38
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(N2CCCCC2)N1
InChIInChI=1S/C23H46N8O/c1-15(2)19-11-17(12-20(28-19)30-8-4-3-5-9-30)27-22-18(21(25)32)13-26-23(29-22)31-10-6-7-16(24)14-31/h15-20,22-23,26-29H,3-14,24H2,1-2H3,(H2,25,32)/t16-,17?,18?,19?,20?,22?,23?/m0/s1
InChIKeyLVSHGADLSJGKAF-SATILHMASA-N
XLogP-0.51
TPSA123.71 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.68
LogP ≤ 5-0.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide with MolForge

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Related Compounds

3,3-diamino-2-(4-fluoro-2-aza-6-azoniaspiro[5.5]undecan-1-yl)-N-[5-fluoro-4-(4-methylpiperidin-1-yl)piperidin-3-yl]propanamide
CID 123565594
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]-1,3-diazinane-5-carboxamide
CID 162462800
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-(4,4-difluorocyclohexyl)-6-propan-2-ylpiperidin-4-yl]amino]-1,3-diazinane-5-carboxamide
CID 162462829
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-(trifluoromethyl)piperidin-4-yl]amino]-1,3-diazinane-5-carboxamide
CID 162462872
N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 70940073
6-Ethyl-3-[[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]cyclohexyl]amino]-5-piperazin-1-ylpiperazine-2-carboxamide
CID 89709119
N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 160479723
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butyl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
CID 162462808
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
CID 162462809
2-[(3R)-3-aminoazepan-1-yl]-4-[[2,6-di(propan-2-yl)piperidin-4-yl]amino]-1,3-diazinane-5-carboxamide
CID 162462814
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-cyclopentyl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
CID 162462821
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-bis(2-cyanopropan-2-yl)piperidin-4-yl]amino]-1,3-diazinane-5-carboxamide
CID 162462822

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide (CID 162462824) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide is CC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(N2CCCCC2)N1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The InChIKey is LVSHGADLSJGKAF-SATILHMASA-N. The full InChI is InChI=1S/C23H46N8O/c1-15(2)19-11-17(12-20(28-19)30-8-4-3-5-9-30)27-22-18(21(25)32)13-26-23(29-22)31-10-6-7-16(24)14-31/h15-20,22-23,26-29H,3-14,24H2,1-2H3,(H2,25,32)/t16-,17?,18?,19?,20?,22?,23?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide has a molecular weight of 450.68 g/mol, XLogP of -0.51, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-piperidin-1-yl-6-propan-2-ylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).