N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide

C19H27N5O — CID 95284465

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(C(=O)Cn1cncn1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-10-24(19(25)14-23-16-20-15-21-23)18-9-6-11-22(13-18)12-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,2,6,9-14H2,1H3/t18-/m1/s1
InChIKeyYZRGAEMEGMFLFY-GOSISDBHSA-N
MW341.46 g/mol
LogP2.18
Rot. Bonds7

About N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide

N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 95284465) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID95284465
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(C(=O)Cn1cncn1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-10-24(19(25)14-23-16-20-15-21-23)18-9-6-11-22(13-18)12-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,2,6,9-14H2,1H3/t18-/m1/s1
InChIKeyYZRGAEMEGMFLFY-GOSISDBHSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 45197006
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
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-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (CID 95284465) is N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is CCCN(C(=O)Cn1cncn1)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YZRGAEMEGMFLFY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-10-24(19(25)14-23-16-20-15-21-23)18-9-6-11-22(13-18)12-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,2,6,9-14H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 95284465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).