[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone

C22H32N6O — CID 92614139

IUPAC[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCCC[C@H]2CCN2CCC(C)CC2)c1
InChIInChI=1S/C22H32N6O/c1-17-9-13-26(14-10-17)15-11-20-7-3-4-12-27(20)22(29)19-6-5-8-21(16-19)28-18(2)23-24-25-28/h5-6,8,16-17,20H,3-4,7,9-15H2,1-2H3/t20-/m0/s1
InChIKeyYJDVBNXOFGHPCV-FQEVSTJZSA-N
MW396.54 g/mol
LogP3.09
Rot. Bonds5

About [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone

[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (PubChem CID 92614139) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
PubChem CID92614139
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCCC[C@H]2CCN2CCC(C)CC2)c1
InChIInChI=1S/C22H32N6O/c1-17-9-13-26(14-10-17)15-11-20-7-3-4-12-27(20)22(29)19-6-5-8-21(16-19)28-18(2)23-24-25-28/h5-6,8,16-17,20H,3-4,7,9-15H2,1-2H3/t20-/m0/s1
InChIKeyYJDVBNXOFGHPCV-FQEVSTJZSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (CID 92614139) is [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is Cc1nnnn1-c1cccc(C(=O)N2CCCC[C@H]2CCN2CCC(C)CC2)c1.
What is the InChIKey of [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The InChIKey is YJDVBNXOFGHPCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N6O/c1-17-9-13-26(14-10-17)15-11-20-7-3-4-12-27(20)22(29)19-6-5-8-21(16-19)28-18(2)23-24-25-28/h5-6,8,16-17,20H,3-4,7,9-15H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone has a molecular weight of 396.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 92614139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).