(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C19H28Cl2N2O2 — CID 93492205

IUPAC(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H28Cl2N2O2/c1-14(2)25-11-5-9-22-19(24)15-6-4-10-23(12-15)13-16-17(20)7-3-8-18(16)21/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPEAMTKRYZYRZME-OAHLLOKOSA-N
MW387.35 g/mol
LogP4.14
Rot. Bonds8

About (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 93492205) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID93492205
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H28Cl2N2O2/c1-14(2)25-11-5-9-22-19(24)15-6-4-10-23(12-15)13-16-17(20)7-3-8-18(16)21/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPEAMTKRYZYRZME-OAHLLOKOSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 43918890
1-[(4-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924509
1-[(3-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924508
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[(2,6-dichlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920631
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
N-[1-(4-chlorophenyl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 133260443

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 93492205) is (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is PEAMTKRYZYRZME-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28Cl2N2O2/c1-14(2)25-11-5-9-22-19(24)15-6-4-10-23(12-15)13-16-17(20)7-3-8-18(16)21/h3,7-8,14-15H,4-6,9-13H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 93492205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).