1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide

C18H27ClFN3O — CID 3506750

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H27ClFN3O/c1-22(2)10-4-9-21-18(24)14-7-11-23(12-8-14)13-15-16(19)5-3-6-17(15)20/h3,5-6,14H,4,7-13H2,1-2H3,(H,21,24)
InChIKeySQNBLHPMWXFDOX-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.76
Rot. Bonds7

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide (PubChem CID 3506750) has the molecular formula C18H27ClFN3O and a molecular weight of 355.89 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
PubChem CID3506750
Molecular FormulaC18H27ClFN3O
Molecular Weight355.89 g/mol
Exact Mass355.18
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H27ClFN3O/c1-22(2)10-4-9-21-18(24)14-7-11-23(12-8-14)13-15-16(19)5-3-6-17(15)20/h3,5-6,14H,4,7-13H2,1-2H3,(H,21,24)
InChIKeySQNBLHPMWXFDOX-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.76
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

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide (CID 3506750) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide is CN(C)CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?
The InChIKey is SQNBLHPMWXFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN3O/c1-22(2)10-4-9-21-18(24)14-7-11-23(12-8-14)13-15-16(19)5-3-6-17(15)20/h3,5-6,14H,4,7-13H2,1-2H3,(H,21,24).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide has a molecular weight of 355.89 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3506750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).