N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

C25H32N4O3 — CID 112824843

IUPACN-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C25H32N4O3/c1-20-8-7-9-21(18-20)32-23-11-4-3-10-22(23)26-25(31)29-16-14-27(15-17-29)19-24(30)28-12-5-2-6-13-28/h3-4,7-11,18H,2,5-6,12-17,19H2,1H3,(H,26,31)
InChIKeyHQMZHSIRKCPYDG-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.95
Rot. Bonds5

About N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 112824843) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID112824843
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C25H32N4O3/c1-20-8-7-9-21(18-20)32-23-11-4-3-10-22(23)26-25(31)29-16-14-27(15-17-29)19-24(30)28-12-5-2-6-13-28/h3-4,7-11,18H,2,5-6,12-17,19H2,1H3,(H,26,31)
InChIKeyHQMZHSIRKCPYDG-UHFFFAOYSA-N
XLogP3.95
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
N-(4-methyl-2-phenylmethoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 52667395
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 78899164
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide (CID 112824843) is N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide is Cc1cccc(Oc2ccccc2NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is HQMZHSIRKCPYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-20-8-7-9-21(18-20)32-23-11-4-3-10-22(23)26-25(31)29-16-14-27(15-17-29)19-24(30)28-12-5-2-6-13-28/h3-4,7-11,18H,2,5-6,12-17,19H2,1H3,(H,26,31).
What are the key properties of N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 112824843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).