2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

C23H43N7O — CID 162462810

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)C)C1C#N
InChIInChI=1S/C23H43N7O/c1-13(2)17-8-16(9-18(14(3)4)19(17)10-24)28-22-20(21(26)31)11-27-23(29-22)30-7-5-6-15(25)12-30/h13-20,22-23,27-29H,5-9,11-12,25H2,1-4H3,(H2,26,31)/t15-,16?,17?,18?,19?,20?,22?,23?/m0/s1
InChIKeyMUMDUKILCHHNAE-WIGCIBNNSA-N
MW433.65 g/mol
LogP0.75
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462810) has the molecular formula C23H43N7O and a molecular weight of 433.65 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
PubChem CID162462810
Molecular FormulaC23H43N7O
Molecular Weight433.65 g/mol
Exact Mass433.35
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)C)C1C#N
InChIInChI=1S/C23H43N7O/c1-13(2)17-8-16(9-18(14(3)4)19(17)10-24)28-22-20(21(26)31)11-27-23(29-22)30-7-5-6-15(25)12-30/h13-20,22-23,27-29H,5-9,11-12,25H2,1-4H3,(H2,26,31)/t15-,16?,17?,18?,19?,20?,22?,23?/m0/s1
InChIKeyMUMDUKILCHHNAE-WIGCIBNNSA-N
XLogP0.75
TPSA132.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.65
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide with MolForge

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462826
2-[(3S)-3-aminopiperidin-1-yl]-4-[(3-cyclohexyl-4-fluorocyclohexyl)amino]-1,3-diazinane-5-carboxamide
CID 162462885
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-fluoropropan-2-yl)-5-(trifluoromethyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462889
2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-fluoro-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462891
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3,5-bis(2-fluoropropan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462901
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 152915086
2-[(3S)-3-aminopiperidin-1-yl]-4-[(3-tert-butyl-5-propan-2-ylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
CID 162462815
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
2-[(3R,5S)-3,5-diaminopiperidin-1-yl]-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
CID 162462836
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-cyanopropan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462838
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(1-cyanocyclopropyl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462839
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-methylcyclohexyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
CID 162462849

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (CID 162462810) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is CC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)C)C1C#N.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The InChIKey is MUMDUKILCHHNAE-WIGCIBNNSA-N. The full InChI is InChI=1S/C23H43N7O/c1-13(2)17-8-16(9-18(14(3)4)19(17)10-24)28-22-20(21(26)31)11-27-23(29-22)30-7-5-6-15(25)12-30/h13-20,22-23,27-29H,5-9,11-12,25H2,1-4H3,(H2,26,31)/t15-,16?,17?,18?,19?,20?,22?,23?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide has a molecular weight of 433.65 g/mol, XLogP of 0.75, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[4-cyano-3,5-di(propan-2-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).