N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide

C18H31N5O — CID 95346735

IUPACN-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H31N5O/c1-14-19-15(2)23(21-14)13-16-6-5-10-22(12-16)11-9-18(24)20-17-7-3-4-8-17/h16-17H,3-13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyJNHCFPIAALAZAV-INIZCTEOSA-N
MW333.48 g/mol
LogP2.06
Rot. Bonds6

About N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide

N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 95346735) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID95346735
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H31N5O/c1-14-19-15(2)23(21-14)13-16-6-5-10-22(12-16)11-9-18(24)20-17-7-3-4-8-17/h16-17H,3-13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyJNHCFPIAALAZAV-INIZCTEOSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide with MolForge

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Related Compounds

(3S)-1-(cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95332981
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 95331668
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-[(R)-phenylsulfinyl]ethyl]piperidine
CID 95346703
(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 95345552
4-[2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethoxy]benzonitrile
CID 95345982
5-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95334783
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 124626750
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 127931930

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide (CID 95346735) is N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide is Cc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1.
What is the InChIKey of N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is JNHCFPIAALAZAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-19-15(2)23(21-14)13-16-6-5-10-22(12-16)11-9-18(24)20-17-7-3-4-8-17/h16-17H,3-13H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95346735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).