4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide

C18H24N4O2 — CID 53078498

IUPAC4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H24N4O2/c23-18(19-14-5-1-2-6-14)22-11-9-21(10-12-22)13-17-20-15-7-3-4-8-16(15)24-17/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,19,23)
InChIKeyUUDZGZSBPPRUBT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.60
Rot. Bonds3

About 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide

4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 53078498) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID53078498
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H24N4O2/c23-18(19-14-5-1-2-6-14)22-11-9-21(10-12-22)13-17-20-15-7-3-4-8-16(15)24-17/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,19,23)
InChIKeyUUDZGZSBPPRUBT-UHFFFAOYSA-N
XLogP2.60
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
N-cyclohexyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 110395570
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide (CID 53078498) is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is UUDZGZSBPPRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(19-14-5-1-2-6-14)22-11-9-21(10-12-22)13-17-20-15-7-3-4-8-16(15)24-17/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,19,23).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 53078498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).