(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide

C20H30N2O2 — CID 755199

IUPAC(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyPEQPXWXFRBSBCY-KRWDZBQOSA-N
MW330.47 g/mol
LogP2.73
Rot. Bonds5

About (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide

(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide (PubChem CID 755199) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
PubChem CID755199
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyPEQPXWXFRBSBCY-KRWDZBQOSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide 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

N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
2-methyl-1-[(4-phenyloxan-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416666
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide (CID 755199) is (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide is C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1.
What is the InChIKey of (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The InChIKey is PEQPXWXFRBSBCY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide has a molecular weight of 330.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 755199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).