N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide

C23H33N5O3 — CID 17121266

IUPACN-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2CCCCC2)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H33N5O3/c29-21(27-15-13-26(14-16-27)19-9-5-2-6-10-19)17-20-22(30)24-11-12-28(20)23(31)25-18-7-3-1-4-8-18/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,24,30)(H,25,31)
InChIKeyIMEOWLWUNIKHSW-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.57
Rot. Bonds4

About N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide

N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 17121266) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID17121266
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2CCCCC2)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H33N5O3/c29-21(27-15-13-26(14-16-27)19-9-5-2-6-10-19)17-20-22(30)24-11-12-28(20)23(31)25-18-7-3-1-4-8-18/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,24,30)(H,25,31)
InChIKeyIMEOWLWUNIKHSW-UHFFFAOYSA-N
XLogP1.57
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
CID 41384858
(3R)-4-(4-bromobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384843
(3S)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384841
(3R)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384840
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 41281654
(2S)-N-(4-chlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide
CID 41455840
(2S)-N-(3,5-dichlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide
CID 41455852
4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 17121263
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 40933027
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 17079347

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide (CID 17121266) is N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide is O=C1NCCN(C(=O)NC2CCCCC2)C1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is IMEOWLWUNIKHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c29-21(27-15-13-26(14-16-27)19-9-5-2-6-10-19)17-20-22(30)24-11-12-28(20)23(31)25-18-7-3-1-4-8-18/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,24,30)(H,25,31).
What are the key properties of N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide?
N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 17121266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).