(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone

C21H34N2O — CID 143760162

IUPAC(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone
SMILESCCCN(C(CC)CC)C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-5-14-23(19(6-2)7-3)20-12-15-22(16-13-20)21(24)18-10-8-17(4)9-11-18/h8-11,19-20H,5-7,12-16H2,1-4H3
InChIKeyDETLLDAUNQIKCR-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.50
Rot. Bonds7

About (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone

(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone (PubChem CID 143760162) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone
PubChem CID143760162
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone
SMILESCCCN(C(CC)CC)C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-5-14-23(19(6-2)7-3)20-12-15-22(16-13-20)21(24)18-10-8-17(4)9-11-18/h8-11,19-20H,5-7,12-16H2,1-4H3
InChIKeyDETLLDAUNQIKCR-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-5-[4-[pentan-3-yl(propyl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 143278992
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199805
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone (CID 143760162) is (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone is CCCN(C(CC)CC)C1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone?
The InChIKey is DETLLDAUNQIKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-5-14-23(19(6-2)7-3)20-12-15-22(16-13-20)21(24)18-10-8-17(4)9-11-18/h8-11,19-20H,5-7,12-16H2,1-4H3.
What are the key properties of (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone?
(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone has a molecular weight of 330.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 143760162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).