N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide

C17H24N6O — CID 119699342

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(-c2nnnn2C)c1)C1CCCNC1
InChIInChI=1S/C17H24N6O/c1-12(14-6-4-8-18-11-14)9-16(24)19-15-7-3-5-13(10-15)17-20-21-22-23(17)2/h3,5,7,10,12,14,18H,4,6,8-9,11H2,1-2H3,(H,19,24)
InChIKeyDOIILRJGHWIHPQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119699342) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119699342
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(-c2nnnn2C)c1)C1CCCNC1
InChIInChI=1S/C17H24N6O/c1-12(14-6-4-8-18-11-14)9-16(24)19-15-7-3-5-13(10-15)17-20-21-22-23(17)2/h3,5,7,10,12,14,18H,4,6,8-9,11H2,1-2H3,(H,19,24)
InChIKeyDOIILRJGHWIHPQ-UHFFFAOYSA-N
XLogP1.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119856068
3-piperidin-3-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide;hydrochloride
CID 119680960
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119808894
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide (CID 119699342) is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccc(-c2nnnn2C)c1)C1CCCNC1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is DOIILRJGHWIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(14-6-4-8-18-11-14)9-16(24)19-15-7-3-5-13(10-15)17-20-21-22-23(17)2/h3,5,7,10,12,14,18H,4,6,8-9,11H2,1-2H3,(H,19,24).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 328.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119699342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).