1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide

C19H28FN3O — CID 155879288

IUPAC1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H28FN3O/c1-21-18(24)19(22-17-8-4-7-16(20)13-17)9-11-23(12-10-19)14-15-5-2-3-6-15/h4,7-8,13,15,22H,2-3,5-6,9-12,14H2,1H3,(H,21,24)
InChIKeyRPSBMGWEWHMFIT-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.01
Rot. Bonds5

About 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide

1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide (PubChem CID 155879288) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
PubChem CID155879288
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H28FN3O/c1-21-18(24)19(22-17-8-4-7-16(20)13-17)9-11-23(12-10-19)14-15-5-2-3-6-15/h4,7-8,13,15,22H,2-3,5-6,9-12,14H2,1H3,(H,21,24)
InChIKeyRPSBMGWEWHMFIT-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
CID 155873184

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide (CID 155879288) is 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The InChIKey is RPSBMGWEWHMFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-21-18(24)19(22-17-8-4-7-16(20)13-17)9-11-23(12-10-19)14-15-5-2-3-6-15/h4,7-8,13,15,22H,2-3,5-6,9-12,14H2,1H3,(H,21,24).
What are the key properties of 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155879288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).