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

C23H29N3O — CID 131931128

IUPAC(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H29N3O/c1-18-7-9-19(10-8-18)23(27)25-14-11-20(12-15-25)24-21-13-16-26(17-21)22-5-3-2-4-6-22/h2-10,20-21,24H,11-17H2,1H3
InChIKeyLYSXOFKGCBGTCF-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.47
Rot. Bonds4

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

(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone (PubChem CID 131931128) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
PubChem CID131931128
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H29N3O/c1-18-7-9-19(10-8-18)23(27)25-14-11-20(12-15-25)24-21-13-16-26(17-21)22-5-3-2-4-6-22/h2-10,20-21,24H,11-17H2,1H3
InChIKeyLYSXOFKGCBGTCF-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 131939878
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone (CID 131931128) is (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone?
The InChIKey is LYSXOFKGCBGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-7-9-19(10-8-18)23(27)25-14-11-20(12-15-25)24-21-13-16-26(17-21)22-5-3-2-4-6-22/h2-10,20-21,24H,11-17H2,1H3.
What are the key properties of (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone?
(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone has a molecular weight of 363.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 131931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).