(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C24H35N5O3 — CID 51948137

IUPAC(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1
InChIInChI=1S/C24H35N5O3/c1-26-13-15-27(16-14-26)23(31)20-8-6-19(7-9-20)17-25-22(30)21-5-4-12-29(18-21)24(32)28-10-2-3-11-28/h6-9,21H,2-5,10-18H2,1H3,(H,25,30)/t21-/m1/s1
InChIKeyGUSKBXLGYRVZAY-OAQYLSRUSA-N
MW441.58 g/mol
LogP1.62
Rot. Bonds4

About (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 51948137) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID51948137
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1
InChIInChI=1S/C24H35N5O3/c1-26-13-15-27(16-14-26)23(31)20-8-6-19(7-9-20)17-25-22(30)21-5-4-12-29(18-21)24(32)28-10-2-3-11-28/h6-9,21H,2-5,10-18H2,1H3,(H,25,30)/t21-/m1/s1
InChIKeyGUSKBXLGYRVZAY-OAQYLSRUSA-N
XLogP1.62
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 51948137) is (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1.
What is the InChIKey of (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is GUSKBXLGYRVZAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-26-13-15-27(16-14-26)23(31)20-8-6-19(7-9-20)17-25-22(30)21-5-4-12-29(18-21)24(32)28-10-2-3-11-28/h6-9,21H,2-5,10-18H2,1H3,(H,25,30)/t21-/m1/s1.
What are the key properties of (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51948137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).