N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C24H30N6O3 — CID 38802505

IUPACN-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)NCc4ccccc4)CC3)CC2)o1
InChIInChI=1S/C24H30N6O3/c1-18-27-21(15-25)24(33-18)30-13-11-29(12-14-30)22(31)17-28-9-7-20(8-10-28)23(32)26-16-19-5-3-2-4-6-19/h2-6,20H,7-14,16-17H2,1H3,(H,26,32)
InChIKeyGERBYKSOWPMYNT-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.53
Rot. Bonds6

About N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 38802505) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID38802505
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)NCc4ccccc4)CC3)CC2)o1
InChIInChI=1S/C24H30N6O3/c1-18-27-21(15-25)24(33-18)30-13-11-29(12-14-30)22(31)17-28-9-7-20(8-10-28)23(32)26-16-19-5-3-2-4-6-19/h2-6,20H,7-14,16-17H2,1H3,(H,26,32)
InChIKeyGERBYKSOWPMYNT-UHFFFAOYSA-N
XLogP1.53
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38801996
5-[4-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 55680089
2-methyl-5-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38745502
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55838933
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 99792433
5-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 46687069
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide
CID 99792714
2-methyl-5-[4-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 46687078
2-methyl-5-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55733934
5-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38802512
5-[4-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 36924762
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 38802505) is N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)NCc4ccccc4)CC3)CC2)o1.
What is the InChIKey of N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is GERBYKSOWPMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-27-21(15-25)24(33-18)30-13-11-29(12-14-30)22(31)17-28-9-7-20(8-10-28)23(32)26-16-19-5-3-2-4-6-19/h2-6,20H,7-14,16-17H2,1H3,(H,26,32).
What are the key properties of N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 38802505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).