N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide

C17H23N3O3 — CID 119282784

IUPACN-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCO2)cc1)C1CCCNC1
InChIInChI=1S/C17H23N3O3/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h5-8,12,15,18H,1-4,9-11H2,(H,19,21)(H,20,22)
InChIKeyVNFJQRWZEWFFOV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds4

About N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide

N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide (PubChem CID 119282784) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
PubChem CID119282784
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCO2)cc1)C1CCCNC1
InChIInChI=1S/C17H23N3O3/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h5-8,12,15,18H,1-4,9-11H2,(H,19,21)(H,20,22)
InChIKeyVNFJQRWZEWFFOV-UHFFFAOYSA-N
XLogP1.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
(E)-3-[4-[[(3R)-piperidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 115342369
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide (CID 119282784) is N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCO2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is VNFJQRWZEWFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h5-8,12,15,18H,1-4,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide?
N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119282784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).