[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

C19H28N2O — CID 2930824

IUPAC[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-20-11-5-6-18(15-20)19(22)21-12-3-2-4-13-21/h7-10,18H,2-6,11-15H2,1H3
InChIKeySBMRGPUPONJGFV-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.22
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 2930824) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID2930824
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-20-11-5-6-18(15-20)19(22)21-12-3-2-4-13-21/h7-10,18H,2-6,11-15H2,1H3
InChIKeySBMRGPUPONJGFV-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
[1-(furan-3-carbonyl)piperidin-3-yl]-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 42958268
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2931967

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (CID 2930824) is [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(CN2CCCC(C(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is SBMRGPUPONJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-20-11-5-6-18(15-20)19(22)21-12-3-2-4-13-21/h7-10,18H,2-6,11-15H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2930824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).