4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide

C18H31F3N4O — CID 99823226

IUPAC4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H31F3N4O/c19-18(20,21)14-23-7-5-15(6-8-23)13-22-17(26)25-11-9-24(10-12-25)16-3-1-2-4-16/h15-16H,1-14H2,(H,22,26)
InChIKeyBFKHVBCNKGEORK-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.53
Rot. Bonds4

About 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide

4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 99823226) has the molecular formula C18H31F3N4O and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
PubChem CID99823226
Molecular FormulaC18H31F3N4O
Molecular Weight376.47 g/mol
Exact Mass376.24
IUPAC Name4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H31F3N4O/c19-18(20,21)14-23-7-5-15(6-8-23)13-22-17(26)25-11-9-24(10-12-25)16-3-1-2-4-16/h15-16H,1-14H2,(H,22,26)
InChIKeyBFKHVBCNKGEORK-UHFFFAOYSA-N
XLogP2.53
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 126795613
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
4-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 52502653
4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
CID 71978851
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
CID 99823277
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide (CID 99823226) is 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is BFKHVBCNKGEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F3N4O/c19-18(20,21)14-23-7-5-15(6-8-23)13-22-17(26)25-11-9-24(10-12-25)16-3-1-2-4-16/h15-16H,1-14H2,(H,22,26).
What are the key properties of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 99823226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).