(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide

C16H22ClN3O3 — CID 124592872

IUPAC(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC[C@H](COc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O3/c1-11(15(21)19-16(18)22)20-8-4-5-12(9-20)10-23-14-7-3-2-6-13(14)17/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H3,18,19,21,22)/t11-,12+/m1/s1
InChIKeyCBRWLMADSBCRML-NEPJUHHUSA-N
MW339.82 g/mol
LogP2.01
Rot. Bonds5

About (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide

(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide (PubChem CID 124592872) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
PubChem CID124592872
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC[C@H](COc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O3/c1-11(15(21)19-16(18)22)20-8-4-5-12(9-20)10-23-14-7-3-2-6-13(14)17/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H3,18,19,21,22)/t11-,12+/m1/s1
InChIKeyCBRWLMADSBCRML-NEPJUHHUSA-N
XLogP2.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]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

(3S)-3-[(2-chlorophenoxy)methyl]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 99790678
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
1-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-(cyclopropylamino)ethanone
CID 126794413
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide (CID 124592872) is (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide is C[C@H](C(=O)NC(N)=O)N1CCC[C@H](COc2ccccc2Cl)C1.
What is the InChIKey of (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide?
The InChIKey is CBRWLMADSBCRML-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-11(15(21)19-16(18)22)20-8-4-5-12(9-20)10-23-14-7-3-2-6-13(14)17/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H3,18,19,21,22)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide?
(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide has a molecular weight of 339.82 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 124592872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).