(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C21H25ClN2O3 — CID 99971545

IUPAC(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyHGZRIKIBPXNGKX-HNNXBMFYSA-N
MW388.90 g/mol
LogP4.22
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 99971545) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID99971545
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyHGZRIKIBPXNGKX-HNNXBMFYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide 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-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131943396
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665924
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 99971545) is (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is HGZRIKIBPXNGKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 99971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).