N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H26ClN5O — CID 119728201

IUPACN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1nncn1-c1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14(15-6-5-9-19-11-15)10-18(24)20-12-17-22-21-13-23(17)16-7-3-2-4-8-16;/h2-4,7-8,13-15,19H,5-6,9-12H2,1H3,(H,20,24);1H
InChIKeyYUHMSVMLPCFVIN-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.33
Rot. Bonds6

About N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119728201) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119728201
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1nncn1-c1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14(15-6-5-9-19-11-15)10-18(24)20-12-17-22-21-13-23(17)16-7-3-2-4-8-16;/h2-4,7-8,13-15,19H,5-6,9-12H2,1H3,(H,20,24);1H
InChIKeyYUHMSVMLPCFVIN-UHFFFAOYSA-N
XLogP2.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119816636
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119846768
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119728201) is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCc1nncn1-c1ccccc1)C1CCCNC1.Cl.
What is the InChIKey of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is YUHMSVMLPCFVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-14(15-6-5-9-19-11-15)10-18(24)20-12-17-22-21-13-23(17)16-7-3-2-4-8-16;/h2-4,7-8,13-15,19H,5-6,9-12H2,1H3,(H,20,24);1H.
What are the key properties of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119728201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).