1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H30F3N3O — CID 119932159

IUPAC1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C17H30F3N3O/c1-2-9-23(13-17(18,19)20)16(24)15-4-3-10-22(12-15)11-14-5-7-21-8-6-14/h14-15,21H,2-13H2,1H3
InChIKeyVLODNFJPIIUBLY-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.50
Rot. Bonds6

About 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 119932159) has the molecular formula C17H30F3N3O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID119932159
Molecular FormulaC17H30F3N3O
Molecular Weight349.44 g/mol
Exact Mass349.23
IUPAC Name1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C17H30F3N3O/c1-2-9-23(13-17(18,19)20)16(24)15-4-3-10-22(12-15)11-14-5-7-21-8-6-14/h14-15,21H,2-13H2,1H3
InChIKeyVLODNFJPIIUBLY-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
CID 119923251
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119923258
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55664490
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130
3-piperidin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55211669
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 119932159) is 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCCN(CC2CCNCC2)C1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is VLODNFJPIIUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O/c1-2-9-23(13-17(18,19)20)16(24)15-4-3-10-22(12-15)11-14-5-7-21-8-6-14/h14-15,21H,2-13H2,1H3.
What are the key properties of 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119932159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).