(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide

C19H25Cl2N3O2 — CID 94459780

IUPAC(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C19H25Cl2N3O2/c1-12(18(25)23-16-6-2-5-15(20)17(16)21)24-9-3-4-14(11-24)19(26)22-10-13-7-8-13/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,22,26)(H,23,25)/t12-,14-/m0/s1
InChIKeyHQVQURZMNGQANV-JSGCOSHPSA-N
MW398.33 g/mol
LogP3.56
Rot. Bonds6

About (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 94459780) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID94459780
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C19H25Cl2N3O2/c1-12(18(25)23-16-6-2-5-15(20)17(16)21)24-9-3-4-14(11-24)19(26)22-10-13-7-8-13/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,22,26)(H,23,25)/t12-,14-/m0/s1
InChIKeyHQVQURZMNGQANV-JSGCOSHPSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide 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-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242
1-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-ethylpiperidine-3-carboxamide
CID 48937654
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 98773575
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
CID 52524542

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 94459780) is (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide is C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)NCC2CC2)C1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is HQVQURZMNGQANV-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-12(18(25)23-16-6-2-5-15(20)17(16)21)24-9-3-4-14(11-24)19(26)22-10-13-7-8-13/h2,5-6,12-14H,3-4,7-11H2,1H3,(H,22,26)(H,23,25)/t12-,14-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).