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

C24H28N4O2 — CID 71026723

IUPACN-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(Cc2cccc(C3CCCC3)c2)CC1
InChIInChI=1S/C24H28N4O2/c29-24(25-23-21-10-3-4-11-22(21)30-26-23)28-14-12-27(13-15-28)17-18-6-5-9-20(16-18)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H,25,26,29)
InChIKeyUPSWVWFSCIWIGP-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.84
Rot. Bonds4

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

N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 71026723) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide
PubChem CID71026723
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(Cc2cccc(C3CCCC3)c2)CC1
InChIInChI=1S/C24H28N4O2/c29-24(25-23-21-10-3-4-11-22(21)30-26-23)28-14-12-27(13-15-28)17-18-6-5-9-20(16-18)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H,25,26,29)
InChIKeyUPSWVWFSCIWIGP-UHFFFAOYSA-N
XLogP4.84
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide (CID 71026723) is N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide is O=C(Nc1noc2ccccc12)N1CCN(Cc2cccc(C3CCCC3)c2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is UPSWVWFSCIWIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(25-23-21-10-3-4-11-22(21)30-26-23)28-14-12-27(13-15-28)17-18-6-5-9-20(16-18)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H,25,26,29).
What are the key properties of N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 71026723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).