2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide

C18H26N2O2 — CID 119461037

IUPAC2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21)
InChIKeySNWPNPWBNIOTNP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds4

About 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide

2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide (PubChem CID 119461037) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
PubChem CID119461037
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21)
InChIKeySNWPNPWBNIOTNP-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119464046
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide?
The IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide (CID 119461037) is 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide.
What is the SMILES notation for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide?
The canonical SMILES for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide is O=C(NCC1CCCNC1)C1CCCOC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide?
The InChIKey is SNWPNPWBNIOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21).
What are the key properties of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide?
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide is sourced from PubChem (CID 119461037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).