2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide

C19H39N7O — CID 162462809

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CCN1
InChIInChI=1S/C19H39N7O/c1-19(2,3)15-9-13(6-7-22-15)24-17-14(16(21)27)10-23-18(25-17)26-8-4-5-12(20)11-26/h12-15,17-18,22-25H,4-11,20H2,1-3H3,(H2,21,27)/t12-,13?,14?,15?,17?,18?/m0/s1
InChIKeyCIASTFJRRYIDDO-KFYYKBDRSA-N
MW381.57 g/mol
LogP-0.93
Rot. Bonds4

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462809) has the molecular formula C19H39N7O and a molecular weight of 381.57 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
PubChem CID162462809
Molecular FormulaC19H39N7O
Molecular Weight381.57 g/mol
Exact Mass381.32
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CCN1
InChIInChI=1S/C19H39N7O/c1-19(2,3)15-9-13(6-7-22-15)24-17-14(16(21)27)10-23-18(25-17)26-8-4-5-12(20)11-26/h12-15,17-18,22-25H,4-11,20H2,1-3H3,(H2,21,27)/t12-,13?,14?,15?,17?,18?/m0/s1
InChIKeyCIASTFJRRYIDDO-KFYYKBDRSA-N
XLogP-0.93
TPSA120.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 5-0.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-bis(2,2,6,6-tetramethyl-4-piperidinyl)tetrahydro-4(1H)-pyrimidinone
CID 1309454
3,3-diamino-2-(1-butan-2-ylidene-5-fluoro-3-methyl-1,3-diazinan-1-ium-2-yl)-N-[1-ethyl-1-methyl-4-(5-methyl-1-propyl-1,3-diazinan-4-yl)-4-propylpiperidin-1-ium-3-yl]propanamide
CID 123911626
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-[2-[ethyl-[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]-2,6,6-trimethyl-1-(2-methylpropyl)piperidin-4-yl]-methylamino]methyl]piperidin-4-yl]-2-methylpropanamide
CID 144494798
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-[(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-[(3-tert-butyl-5-propan-2-ylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
CID 162462815
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide (CID 162462809) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide is CC(C)(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CCN1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
The InChIKey is CIASTFJRRYIDDO-KFYYKBDRSA-N. The full InChI is InChI=1S/C19H39N7O/c1-19(2,3)15-9-13(6-7-22-15)24-17-14(16(21)27)10-23-18(25-17)26-8-4-5-12(20)11-26/h12-15,17-18,22-25H,4-11,20H2,1-3H3,(H2,21,27)/t12-,13?,14?,15?,17?,18?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide has a molecular weight of 381.57 g/mol, XLogP of -0.93, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-tert-butylpiperidin-4-yl)amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).