2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide

C17H24ClN3O2 — CID 71861458

IUPAC2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide
SMILESCC1CCN(C(=O)CNC(C)(C(N)=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-6-8-21(9-7-12)15(22)11-20-17(2,16(19)23)13-4-3-5-14(18)10-13/h3-5,10,12,20H,6-9,11H2,1-2H3,(H2,19,23)
InChIKeyADSXXRQKPWFNCA-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide

2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide (PubChem CID 71861458) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide
PubChem CID71861458
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide
SMILESCC1CCN(C(=O)CNC(C)(C(N)=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-6-8-21(9-7-12)15(22)11-20-17(2,16(19)23)13-4-3-5-14(18)10-13/h3-5,10,12,20H,6-9,11H2,1-2H3,(H2,19,23)
InChIKeyADSXXRQKPWFNCA-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
CID 97088815
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
CID 86880870
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide (CID 71861458) is 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide is CC1CCN(C(=O)CNC(C)(C(N)=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide?
The InChIKey is ADSXXRQKPWFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-6-8-21(9-7-12)15(22)11-20-17(2,16(19)23)13-4-3-5-14(18)10-13/h3-5,10,12,20H,6-9,11H2,1-2H3,(H2,19,23).
What are the key properties of 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide?
2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide has a molecular weight of 337.85 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 71861458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).