N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide

C19H26N6O — CID 656118

IUPACN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C19H26N6O/c26-18(20-16-9-3-1-4-10-16)15-8-7-13-24(14-15)19-21-22-23-25(19)17-11-5-2-6-12-17/h2,5-6,11-12,15-16H,1,3-4,7-10,13-14H2,(H,20,26)
InChIKeyIDNKLTARJAWKAT-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.33
Rot. Bonds4

About N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide

N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide (PubChem CID 656118) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
PubChem CID656118
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C19H26N6O/c26-18(20-16-9-3-1-4-10-16)15-8-7-13-24(14-15)19-21-22-23-25(19)17-11-5-2-6-12-17/h2,5-6,11-12,15-16H,1,3-4,7-10,13-14H2,(H,20,26)
InChIKeyIDNKLTARJAWKAT-UHFFFAOYSA-N
XLogP2.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
2-Acetylamino-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-3-o-tolyl-propionamide
CID 3232519
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-fluoro-phenyl)-amide
CID 645270
N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 648479
1-Phenyl-8-(1-phenyl-1H-tetrazol-5-yl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 648582
1-(1-Phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 2527325
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
N-[3-(tetrazol-1-yl)phenyl]-1-[3-(trifluoromethyl)benzyl]nipecotamide
CID 24791512

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide (CID 656118) is N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide?
The InChIKey is IDNKLTARJAWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(20-16-9-3-1-4-10-16)15-8-7-13-24(14-15)19-21-22-23-25(19)17-11-5-2-6-12-17/h2,5-6,11-12,15-16H,1,3-4,7-10,13-14H2,(H,20,26).
What are the key properties of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide?
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 656118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).