N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide

C17H24N6O — CID 91779821

IUPACN-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1cccc(N2CCC(NC(=O)CCn3nnnc3C)CC2)c1
InChIInChI=1S/C17H24N6O/c1-13-4-3-5-16(12-13)22-9-6-15(7-10-22)18-17(24)8-11-23-14(2)19-20-21-23/h3-5,12,15H,6-11H2,1-2H3,(H,18,24)
InChIKeyICPZGMWVTPGDNM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.47
Rot. Bonds5

About N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide

N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 91779821) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID91779821
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1cccc(N2CCC(NC(=O)CCn3nnnc3C)CC2)c1
InChIInChI=1S/C17H24N6O/c1-13-4-3-5-16(12-13)22-9-6-15(7-10-22)18-17(24)8-11-23-14(2)19-20-21-23/h3-5,12,15H,6-11H2,1-2H3,(H,18,24)
InChIKeyICPZGMWVTPGDNM-UHFFFAOYSA-N
XLogP1.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
CID 95527922
3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide
CID 45205799
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119458299
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide (CID 91779821) is N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1cccc(N2CCC(NC(=O)CCn3nnnc3C)CC2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is ICPZGMWVTPGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-4-3-5-16(12-13)22-9-6-15(7-10-22)18-17(24)8-11-23-14(2)19-20-21-23/h3-5,12,15H,6-11H2,1-2H3,(H,18,24).
What are the key properties of N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 91779821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).