N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride

C18H26ClFN4O2 — CID 119577627

IUPACN-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)C2CCCN(C(=O)Nc3ccccc3F)C2)CCN1.Cl
InChIInChI=1S/C18H25FN4O2.ClH/c1-13-11-22(10-8-20-13)17(24)14-5-4-9-23(12-14)18(25)21-16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H,21,25);1H
InChIKeyNUYISFUNKYLJDU-UHFFFAOYSA-N
MW384.88 g/mol
LogP2.31
Rot. Bonds2

About N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride

N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 119577627) has the molecular formula C18H26ClFN4O2 and a molecular weight of 384.88 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
PubChem CID119577627
Molecular FormulaC18H26ClFN4O2
Molecular Weight384.88 g/mol
Exact Mass384.17
IUPAC NameN-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)C2CCCN(C(=O)Nc3ccccc3F)C2)CCN1.Cl
InChIInChI=1S/C18H25FN4O2.ClH/c1-13-11-22(10-8-20-13)17(24)14-5-4-9-23(12-14)18(25)21-16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H,21,25);1H
InChIKeyNUYISFUNKYLJDU-UHFFFAOYSA-N
XLogP2.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119824032
(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride (CID 119577627) is N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride is CC1CN(C(=O)C2CCCN(C(=O)Nc3ccccc3F)C2)CCN1.Cl.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is NUYISFUNKYLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2.ClH/c1-13-11-22(10-8-20-13)17(24)14-5-4-9-23(12-14)18(25)21-16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H,21,25);1H.
What are the key properties of N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride?
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119577627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).