N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide

C20H30N4O2 — CID 50788874

IUPACN-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N3CCN(C)CC3)c2)C1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(26)24-9-5-8-18(15-24)16-6-4-7-17(14-16)19(25)23-12-10-22(2)11-13-23/h4,6-7,14,18H,3,5,8-13,15H2,1-2H3,(H,21,26)
InChIKeyLQXOXEDDUPOAGW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.98
Rot. Bonds3

About N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide

N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide (PubChem CID 50788874) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
PubChem CID50788874
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N3CCN(C)CC3)c2)C1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(26)24-9-5-8-18(15-24)16-6-4-7-17(14-16)19(25)23-12-10-22(2)11-13-23/h4,6-7,14,18H,3,5,8-13,15H2,1-2H3,(H,21,26)
InChIKeyLQXOXEDDUPOAGW-UHFFFAOYSA-N
XLogP1.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
(3R)-3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92872896
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide (CID 50788874) is N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)N3CCN(C)CC3)c2)C1.
What is the InChIKey of N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is LQXOXEDDUPOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-21-20(26)24-9-5-8-18(15-24)16-6-4-7-17(14-16)19(25)23-12-10-22(2)11-13-23/h4,6-7,14,18H,3,5,8-13,15H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide?
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 50788874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).