N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide

C22H32N6O — CID 86904326

IUPACN-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H32N6O/c29-21(23-19-11-7-15-27(17-19)20-12-5-2-6-13-20)14-8-16-28-25-22(24-26-28)18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2,(H,23,29)
InChIKeyMPMHAKXZOUUNGE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.03
Rot. Bonds7

About N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide

N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 86904326) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
PubChem CID86904326
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H32N6O/c29-21(23-19-11-7-15-27(17-19)20-12-5-2-6-13-20)14-8-16-28-25-22(24-26-28)18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2,(H,23,29)
InChIKeyMPMHAKXZOUUNGE-UHFFFAOYSA-N
XLogP3.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 86874567
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
CID 163318125
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 86874537

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide (CID 86904326) is N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide is O=C(CCCn1nnc(-c2ccccc2)n1)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is MPMHAKXZOUUNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c29-21(23-19-11-7-15-27(17-19)20-12-5-2-6-13-20)14-8-16-28-25-22(24-26-28)18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2,(H,23,29).
What are the key properties of N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide?
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 396.54 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 86904326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).