(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

C18H22Cl2N4O3 — CID 177062311

IUPAC(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H22Cl2N4O3/c1-27-11-17(25)23-7-2-3-12(10-23)18(26)21-16-6-8-24(22-16)13-4-5-14(19)15(20)9-13/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,21,22,26)/t12-/m1/s1
InChIKeyUCUJKJKIKDNMMD-GFCCVEGCSA-N
MW413.31 g/mol
LogP2.52
Rot. Bonds4

About (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 177062311) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID177062311
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC Name(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H22Cl2N4O3/c1-27-11-17(25)23-7-2-3-12(10-23)18(26)21-16-6-8-24(22-16)13-4-5-14(19)15(20)9-13/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,21,22,26)/t12-/m1/s1
InChIKeyUCUJKJKIKDNMMD-GFCCVEGCSA-N
XLogP2.52
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72924717
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide
CID 177061890
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97274269
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
CID 177135458
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72862388
1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55630854
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 177062311) is (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCC[C@@H](C(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is UCUJKJKIKDNMMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-27-11-17(25)23-7-2-3-12(10-23)18(26)21-16-6-8-24(22-16)13-4-5-14(19)15(20)9-13/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,21,22,26)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 413.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 177062311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).