N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide

C20H28N6O2 — CID 47036220

IUPACN-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)C(Cc2ccccc2)n2cnnn2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)12-21-19(27)17-9-6-10-25(13-17)20(28)18(26-14-22-23-24-26)11-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3,(H,21,27)
InChIKeyRLVWDXAISVGDQK-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.47
Rot. Bonds7

About N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide

N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 47036220) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID47036220
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)C(Cc2ccccc2)n2cnnn2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)12-21-19(27)17-9-6-10-25(13-17)20(28)18(26-14-22-23-24-26)11-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3,(H,21,27)
InChIKeyRLVWDXAISVGDQK-UHFFFAOYSA-N
XLogP1.47
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 47041474
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8510170
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95402920
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
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1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51078054
(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide (CID 47036220) is N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(C(=O)C(Cc2ccccc2)n2cnnn2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is RLVWDXAISVGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)12-21-19(27)17-9-6-10-25(13-17)20(28)18(26-14-22-23-24-26)11-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3,(H,21,27).
What are the key properties of N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide?
N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 47036220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).