N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide

C29H34F3N3O2 — CID 42693551

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C29H34F3N3O2/c30-29(31,32)23-10-8-22(9-11-23)28(37)35-18-14-24(15-19-35)34-16-12-21(13-17-34)27(36)33-26-7-3-5-20-4-1-2-6-25(20)26/h1-2,4,6,8-11,21,24,26H,3,5,7,12-19H2,(H,33,36)
InChIKeyVNUUXDIIEHDNQI-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.22
Rot. Bonds4

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693551) has the molecular formula C29H34F3N3O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693551
Molecular FormulaC29H34F3N3O2
Molecular Weight513.60 g/mol
Exact Mass513.26
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C29H34F3N3O2/c30-29(31,32)23-10-8-22(9-11-23)28(37)35-18-14-24(15-19-35)34-16-12-21(13-17-34)27(36)33-26-7-3-5-20-4-1-2-6-25(20)26/h1-2,4,6,8-11,21,24,26H,3,5,7,12-19H2,(H,33,36)
InChIKeyVNUUXDIIEHDNQI-UHFFFAOYSA-N
XLogP5.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(4-phenylcyclohexyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55594757
3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 25398992
N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46543754
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42693551) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VNUUXDIIEHDNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N3O2/c30-29(31,32)23-10-8-22(9-11-23)28(37)35-18-14-24(15-19-35)34-16-12-21(13-17-34)27(36)33-26-7-3-5-20-4-1-2-6-25(20)26/h1-2,4,6,8-11,21,24,26H,3,5,7,12-19H2,(H,33,36).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).