N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide

C16H27F2N3O — CID 120954753

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)CC1)C1CC(F)(F)CN1
InChIInChI=1S/C16H27F2N3O/c17-16(18)9-14(19-11-16)15(22)20-13-5-7-21(8-6-13)10-12-3-1-2-4-12/h12-14,19H,1-11H2,(H,20,22)
InChIKeyBQXJKUAZLSMIPL-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide

N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 120954753) has the molecular formula C16H27F2N3O and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID120954753
Molecular FormulaC16H27F2N3O
Molecular Weight315.41 g/mol
Exact Mass315.21
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)CC1)C1CC(F)(F)CN1
InChIInChI=1S/C16H27F2N3O/c17-16(18)9-14(19-11-16)15(22)20-13-5-7-21(8-6-13)10-12-3-1-2-4-12/h12-14,19H,1-11H2,(H,20,22)
InChIKeyBQXJKUAZLSMIPL-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 155295075
4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955109
4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
CID 120955375
(5S,9R)-2-(cyclopentylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895205
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
CID 167806185
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
CID 84595006
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide (CID 120954753) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide is O=C(NC1CCN(CC2CCCC2)CC1)C1CC(F)(F)CN1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is BQXJKUAZLSMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O/c17-16(18)9-14(19-11-16)15(22)20-13-5-7-21(8-6-13)10-12-3-1-2-4-12/h12-14,19H,1-11H2,(H,20,22).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).