(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C19H27Cl2N3O2 — CID 38103114

IUPAC(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H27Cl2N3O2/c20-17-4-3-15(18(21)12-17)13-24-6-1-2-16(14-24)19(25)22-5-7-23-8-10-26-11-9-23/h3-4,12,16H,1-2,5-11,13-14H2,(H,22,25)/t16-/m1/s1
InChIKeyWYZQNEFREOANCI-MRXNPFEDSA-N
MW400.35 g/mol
LogP2.65
Rot. Bonds6

About (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 38103114) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID38103114
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H27Cl2N3O2/c20-17-4-3-15(18(21)12-17)13-24-6-1-2-16(14-24)19(25)22-5-7-23-8-10-26-11-9-23/h3-4,12,16H,1-2,5-11,13-14H2,(H,22,25)/t16-/m1/s1
InChIKeyWYZQNEFREOANCI-MRXNPFEDSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43922665
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 38103114) is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is WYZQNEFREOANCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27Cl2N3O2/c20-17-4-3-15(18(21)12-17)13-24-6-1-2-16(14-24)19(25)22-5-7-23-8-10-26-11-9-23/h3-4,12,16H,1-2,5-11,13-14H2,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 400.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 38103114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).