(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide

C19H26ClN3O3 — CID 67208421

IUPAC(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1cc(N(C(=O)[C@@H]2CCCNC2)C2CC2)ccc1Cl
InChIInChI=1S/C19H26ClN3O3/c1-26-10-9-22-18(24)16-11-15(6-7-17(16)20)23(14-4-5-14)19(25)13-3-2-8-21-12-13/h6-7,11,13-14,21H,2-5,8-10,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyZPVJGFHAGCJBPA-CYBMUJFWSA-N
MW379.89 g/mol
LogP2.21
Rot. Bonds7

About (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 67208421) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID67208421
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1cc(N(C(=O)[C@@H]2CCCNC2)C2CC2)ccc1Cl
InChIInChI=1S/C19H26ClN3O3/c1-26-10-9-22-18(24)16-11-15(6-7-17(16)20)23(14-4-5-14)19(25)13-3-2-8-21-12-13/h6-7,11,13-14,21H,2-5,8-10,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyZPVJGFHAGCJBPA-CYBMUJFWSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 17205433
1-(4-Chlorophenyl)-3-(3-(4-morpholinopiperidine-1-carbonyl)phenyl)urea
CID 24945440
(3R,4S)-N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44482139
1-[(5-benzamido-2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 72694238
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 72703425
1-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 72703640
5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
CID 92437983
2-chloro-N-(3-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}phenyl)benzamide
CID 2452899
3-(3-(4-chlorophenyl)ureido)-N-(2-morpholinoethyl)benzamide
CID 46888846
N-[3-(3-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
CID 2482653
2-chloro-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222608
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 72704650

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide (CID 67208421) is (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide is COCCNC(=O)c1cc(N(C(=O)[C@@H]2CCCNC2)C2CC2)ccc1Cl.
What is the InChIKey of (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is ZPVJGFHAGCJBPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-26-10-9-22-18(24)16-11-15(6-7-17(16)20)23(14-4-5-14)19(25)13-3-2-8-21-12-13/h6-7,11,13-14,21H,2-5,8-10,12H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-chloro-3-(2-methoxyethylcarbamoyl)phenyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 67208421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).