1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride

C19H26ClF2N3O2 — CID 120577832

IUPAC1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C19H25F2N3O2.ClH/c1-12-17(3-2-8-22-12)23-18(25)13-6-9-24(10-7-13)19(26)15-5-4-14(20)11-16(15)21;/h4-5,11-13,17,22H,2-3,6-10H2,1H3,(H,23,25);1H
InChIKeyULTXXLPMFFPUEL-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.50
Rot. Bonds3

About 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride

1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120577832) has the molecular formula C19H26ClF2N3O2 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID120577832
Molecular FormulaC19H26ClF2N3O2
Molecular Weight401.89 g/mol
Exact Mass401.17
IUPAC Name1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C19H25F2N3O2.ClH/c1-12-17(3-2-8-22-12)23-18(25)13-6-9-24(10-7-13)19(26)15-5-4-14(20)11-16(15)21;/h4-5,11-13,17,22H,2-3,6-10H2,1H3,(H,23,25);1H
InChIKeyULTXXLPMFFPUEL-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119610612
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120630519
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(2,4-difluorobenzoyl)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide
CID 30443832
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride (CID 120577832) is 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ULTXXLPMFFPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2.ClH/c1-12-17(3-2-8-22-12)23-18(25)13-6-9-24(10-7-13)19(26)15-5-4-14(20)11-16(15)21;/h4-5,11-13,17,22H,2-3,6-10H2,1H3,(H,23,25);1H.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride?
1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120577832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).