4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C21H30N2O4 — CID 95097980

IUPAC4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1
InChIInChI=1S/C21H30N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,19+/m0/s1
InChIKeyBVEMPSPEBSMNII-QFBILLFUSA-N
MW374.48 g/mol
LogP2.62
Rot. Bonds6

About 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 95097980) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID95097980
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1
InChIInChI=1S/C21H30N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,19+/m0/s1
InChIKeyBVEMPSPEBSMNII-QFBILLFUSA-N
XLogP2.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide 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

4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
[(2S)-oxolan-2-yl]-[(3R)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900912
[(2S)-oxolan-2-yl]-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900914
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
CID 110394676
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 95097980) is 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1.
What is the InChIKey of 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is BVEMPSPEBSMNII-QFBILLFUSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,19+/m0/s1.
What are the key properties of 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 374.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95097980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).