(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

C15H19Cl2N3O2 — CID 126431385

IUPAC(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c16-11-5-4-10(13(17)7-11)9-19-15(22)20-6-2-1-3-12(20)8-14(18)21/h4-5,7,12H,1-3,6,8-9H2,(H2,18,21)(H,19,22)/t12-/m1/s1
InChIKeyTUFZCKMWJWRZJX-GFCCVEGCSA-N
MW344.24 g/mol
LogP2.93
Rot. Bonds4

About (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 126431385) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID126431385
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c16-11-5-4-10(13(17)7-11)9-19-15(22)20-6-2-1-3-12(20)8-14(18)21/h4-5,7,12H,1-3,6,8-9H2,(H2,18,21)(H,19,22)/t12-/m1/s1
InChIKeyTUFZCKMWJWRZJX-GFCCVEGCSA-N
XLogP2.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide
CID 70266571
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126429505
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
N-[(2,4-dichlorophenyl)methyl]-2-[[[(1R,7S)-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]carbamoylamino]methyl]pyrrolidine-1-carboxamide
CID 70267659
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
CID 173135978
N-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795720
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
2-(2,4-dichlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (CID 126431385) is (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is NC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is TUFZCKMWJWRZJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-11-5-4-10(13(17)7-11)9-19-15(22)20-6-2-1-3-12(20)8-14(18)21/h4-5,7,12H,1-3,6,8-9H2,(H2,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126431385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).