1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide

C19H25ClFN3O2 — CID 43923255

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCCN(Cc3c(F)cccc3Cl)C2)CC1
InChIInChI=1S/C19H25ClFN3O2/c20-16-4-1-5-17(21)15(16)12-23-8-2-3-14(11-23)19(26)24-9-6-13(7-10-24)18(22)25/h1,4-5,13-14H,2-3,6-12H2,(H2,22,25)
InChIKeyMGWUGOCWXLPXSF-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.41
Rot. Bonds4

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

1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 43923255) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID43923255
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCCN(Cc3c(F)cccc3Cl)C2)CC1
InChIInChI=1S/C19H25ClFN3O2/c20-16-4-1-5-17(21)15(16)12-23-8-2-3-14(11-23)19(26)24-9-6-13(7-10-24)18(22)25/h1,4-5,13-14H,2-3,6-12H2,(H2,22,25)
InChIKeyMGWUGOCWXLPXSF-UHFFFAOYSA-N
XLogP2.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
ethyl 4-[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920595
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide (CID 43923255) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCCN(Cc3c(F)cccc3Cl)C2)CC1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is MGWUGOCWXLPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2/c20-16-4-1-5-17(21)15(16)12-23-8-2-3-14(11-23)19(26)24-9-6-13(7-10-24)18(22)25/h1,4-5,13-14H,2-3,6-12H2,(H2,22,25).
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide?
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 381.88 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 43923255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).