N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C23H34N4O3 — CID 56511013

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-4-25(17-18-7-9-19(10-8-18)21(28)24(2)3)22(29)20-11-15-27(16-12-20)23(30)26-13-5-6-14-26/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyOLEZFVJLTBHPIJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.66
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 56511013) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID56511013
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-4-25(17-18-7-9-19(10-8-18)21(28)24(2)3)22(29)20-11-15-27(16-12-20)23(30)26-13-5-6-14-26/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyOLEZFVJLTBHPIJ-UHFFFAOYSA-N
XLogP2.66
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
CID 110015673
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 56511013) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is OLEZFVJLTBHPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-25(17-18-7-9-19(10-8-18)21(28)24(2)3)22(29)20-11-15-27(16-12-20)23(30)26-13-5-6-14-26/h7-10,20H,4-6,11-17H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 56511013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).