[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C16H27N5O — CID 97280384

IUPAC[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyCKXMUKWGLQIPCN-AWEZNQCLSA-N
MW305.43 g/mol
LogP1.63
Rot. Bonds3

About [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97280384) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID97280384
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyCKXMUKWGLQIPCN-AWEZNQCLSA-N
XLogP1.63
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
(1S,9aR)-1-{3-oxo-3-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]propyl}octahydro-2H-quinolizine
CID 72936981
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
Piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}-1-piperidinecarboxamide
CID 70732021
piperidin-1-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 71978412
(6S)-2-cyclopentyl-8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96393573

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 97280384) is [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CC(C)N1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1.
What is the InChIKey of [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CKXMUKWGLQIPCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 305.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97280384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).