N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide

C20H30N2O2 — CID 121021211

IUPACN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCN(C2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-2-19(17-6-4-3-5-7-17)20(23)21-14-16-8-11-22(12-9-16)18-10-13-24-15-18/h3-7,16,18-19H,2,8-15H2,1H3,(H,21,23)
InChIKeySKAXBQSIIJANQU-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide (PubChem CID 121021211) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
PubChem CID121021211
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCN(C2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-2-19(17-6-4-3-5-7-17)20(23)21-14-16-8-11-22(12-9-16)18-10-13-24-15-18/h3-7,16,18-19H,2,8-15H2,1H3,(H,21,23)
InChIKeySKAXBQSIIJANQU-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide 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-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 119104084
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121109894
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
CID 114312339
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide (CID 121021211) is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCC1CCN(C2CCOC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The InChIKey is SKAXBQSIIJANQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-19(17-6-4-3-5-7-17)20(23)21-14-16-8-11-22(12-9-16)18-10-13-24-15-18/h3-7,16,18-19H,2,8-15H2,1H3,(H,21,23).
What are the key properties of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide has a molecular weight of 330.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 121021211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).