N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C17H21F3N6O — CID 124847088

IUPACN-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C
InChIInChI=1S/C17H21F3N6O/c1-11(15-22-23-24-25(15)2)21-16(27)26-9-7-13(8-10-26)12-3-5-14(6-4-12)17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H,21,27)/t11-/m1/s1
InChIKeyKBDWOGOJLILRIB-LLVKDONJSA-N
MW382.39 g/mol
LogP2.88
Rot. Bonds3

About N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 124847088) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID124847088
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC NameN-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C
InChIInChI=1S/C17H21F3N6O/c1-11(15-22-23-24-25(15)2)21-16(27)26-9-7-13(8-10-26)12-3-5-14(6-4-12)17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H,21,27)/t11-/m1/s1
InChIKeyKBDWOGOJLILRIB-LLVKDONJSA-N
XLogP2.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 124847088) is N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C.
What is the InChIKey of N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KBDWOGOJLILRIB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-11(15-22-23-24-25(15)2)21-16(27)26-9-7-13(8-10-26)12-3-5-14(6-4-12)17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H,21,27)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 124847088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).