N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide

C19H27N5O — CID 129432508

IUPACN-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cnnn1C)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-3-11-24(19(25)18-13-20-21-22(18)2)17-10-7-12-23(15-17)14-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyDOCWDHUHUDROLK-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.33
Rot. Bonds6

About N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide

N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide (PubChem CID 129432508) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
PubChem CID129432508
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cnnn1C)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-3-11-24(19(25)18-13-20-21-22(18)2)17-10-7-12-23(15-17)14-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyDOCWDHUHUDROLK-KRWDZBQOSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide (CID 129432508) is N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide is CCCN(C(=O)c1cnnn1C)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide?
The InChIKey is DOCWDHUHUDROLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-11-24(19(25)18-13-20-21-22(18)2)17-10-7-12-23(15-17)14-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide?
N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 129432508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).