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

C18H22N4O3 — CID 138004733

IUPACN-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2noc3ccccc23)CC1)C1CC1
InChIInChI=1S/C18H22N4O3/c23-17(12-5-6-12)20-13-7-9-22(10-8-13)18(24)19-11-15-14-3-1-2-4-16(14)25-21-15/h1-4,12-13H,5-11H2,(H,19,24)(H,20,23)
InChIKeyKHHNRZGXOQKJKS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.03
Rot. Bonds4

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

N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide (PubChem CID 138004733) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
PubChem CID138004733
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2noc3ccccc23)CC1)C1CC1
InChIInChI=1S/C18H22N4O3/c23-17(12-5-6-12)20-13-7-9-22(10-8-13)18(24)19-11-15-14-3-1-2-4-16(14)25-21-15/h1-4,12-13H,5-11H2,(H,19,24)(H,20,23)
InChIKeyKHHNRZGXOQKJKS-UHFFFAOYSA-N
XLogP2.03
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
CID 110821703
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide (CID 138004733) is N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCc2noc3ccccc23)CC1)C1CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide?
The InChIKey is KHHNRZGXOQKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(12-5-6-12)20-13-7-9-22(10-8-13)18(24)19-11-15-14-3-1-2-4-16(14)25-21-15/h1-4,12-13H,5-11H2,(H,19,24)(H,20,23).
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide?
N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 138004733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).