N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide

C20H26N4O3 — CID 110813196

IUPACN-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
SMILESCc1nc2cc(CC(=O)N3CCN(C(=O)NC4CCCC4)CC3)ccc2o1
InChIInChI=1S/C20H26N4O3/c1-14-21-17-12-15(6-7-18(17)27-14)13-19(25)23-8-10-24(11-9-23)20(26)22-16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,22,26)
InChIKeyIVUWYMYQPQMERP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.48
Rot. Bonds3

About N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide

N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide (PubChem CID 110813196) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
PubChem CID110813196
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
SMILESCc1nc2cc(CC(=O)N3CCN(C(=O)NC4CCCC4)CC3)ccc2o1
InChIInChI=1S/C20H26N4O3/c1-14-21-17-12-15(6-7-18(17)27-14)13-19(25)23-8-10-24(11-9-23)20(26)22-16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,22,26)
InChIKeyIVUWYMYQPQMERP-UHFFFAOYSA-N
XLogP2.48
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 110813129
N,N-dimethyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-sulfonamide
CID 110805132
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
CID 110773832
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
2-(2-methyl-1,3-benzoxazol-5-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803012
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110390559
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
3,3-dimethyl-1-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]butan-1-one
CID 110804061

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide (CID 110813196) is N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide is Cc1nc2cc(CC(=O)N3CCN(C(=O)NC4CCCC4)CC3)ccc2o1.
What is the InChIKey of N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is IVUWYMYQPQMERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-21-17-12-15(6-7-18(17)27-14)13-19(25)23-8-10-24(11-9-23)20(26)22-16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,22,26).
What are the key properties of N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).