N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide

C17H26F3N3O2 — CID 74229943

IUPACN-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)CC(F)(F)F)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)10-15(24)22-8-5-14(6-9-22)23-7-1-2-12(11-23)16(25)21-13-3-4-13/h12-14H,1-11H2,(H,21,25)
InChIKeyWUFOJZCZGKFGSU-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 74229943) has the molecular formula C17H26F3N3O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID74229943
Molecular FormulaC17H26F3N3O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC NameN-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)CC(F)(F)F)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)10-15(24)22-8-5-14(6-9-22)23-7-1-2-12(11-23)16(25)21-13-3-4-13/h12-14H,1-11H2,(H,21,25)
InChIKeyWUFOJZCZGKFGSU-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95552645
ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
CID 45208447
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45233968
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56879299
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide (CID 74229943) is N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C2CCN(C(=O)CC(F)(F)F)CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is WUFOJZCZGKFGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O2/c18-17(19,20)10-15(24)22-8-5-14(6-9-22)23-7-1-2-12(11-23)16(25)21-13-3-4-13/h12-14H,1-11H2,(H,21,25).
What are the key properties of N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 74229943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).