N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide

C19H21Cl2N3O — CID 143229668

IUPACN-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2ncccc2Cl)C1)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-6-1-2-8-18(16)24(14-25)12-9-15-5-4-11-23(13-15)19-17(21)7-3-10-22-19/h1-3,6-8,10,14-15H,4-5,9,11-13H2
InChIKeyMUPGCZQMJIKLHC-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.66
Rot. Bonds6

About N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide

N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide (PubChem CID 143229668) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
PubChem CID143229668
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2ncccc2Cl)C1)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-6-1-2-8-18(16)24(14-25)12-9-15-5-4-11-23(13-15)19-17(21)7-3-10-22-19/h1-3,6-8,10,14-15H,4-5,9,11-13H2
InChIKeyMUPGCZQMJIKLHC-UHFFFAOYSA-N
XLogP4.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 143229411
3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45186154
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
2-(3-bromopiperidin-1-yl)-3-chloropyridine
CID 80672727
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 26403321
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide (CID 143229668) is N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide is O=CN(CCC1CCCN(c2ncccc2Cl)C1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide?
The InChIKey is MUPGCZQMJIKLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-6-1-2-8-18(16)24(14-25)12-9-15-5-4-11-23(13-15)19-17(21)7-3-10-22-19/h1-3,6-8,10,14-15H,4-5,9,11-13H2.
What are the key properties of N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide?
N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide has a molecular weight of 378.30 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide is sourced from PubChem (CID 143229668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).