3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

C20H29FN4O2 — CID 119435464

IUPAC3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCC(N)C1CCCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H29FN4O2/c1-14(22)18-10-4-5-12-25(18)19(26)15-7-6-11-24(13-15)20(27)23-17-9-3-2-8-16(17)21/h2-3,8-9,14-15,18H,4-7,10-13,22H2,1H3,(H,23,27)
InChIKeyCUNSKKIXZGSJIC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.80
Rot. Bonds3

About 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 119435464) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID119435464
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCC(N)C1CCCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H29FN4O2/c1-14(22)18-10-4-5-12-25(18)19(26)15-7-6-11-24(13-15)20(27)23-17-9-3-2-8-16(17)21/h2-3,8-9,14-15,18H,4-7,10-13,22H2,1H3,(H,23,27)
InChIKeyCUNSKKIXZGSJIC-UHFFFAOYSA-N
XLogP2.80
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119598315
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 119435464) is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is CC(N)C1CCCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is CUNSKKIXZGSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-14(22)18-10-4-5-12-25(18)19(26)15-7-6-11-24(13-15)20(27)23-17-9-3-2-8-16(17)21/h2-3,8-9,14-15,18H,4-7,10-13,22H2,1H3,(H,23,27).
What are the key properties of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 119435464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).