N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C17H24FN3O2 — CID 71840471

IUPACN-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-16(22)19-11-14-4-3-9-21(12-14)17(23)20-10-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXTGBYQOKORVXPC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.27
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840471) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840471
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-16(22)19-11-14-4-3-9-21(12-14)17(23)20-10-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXTGBYQOKORVXPC-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 748213
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
1-Benzyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2367271
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
N-(4-fluorobenzyl)pentanamide
CID 1741622
Simufilam
CID 46195331
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
N,N'-Benzylidenebisacetamide
CID 23346
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840471) is N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is XTGBYQOKORVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-16(22)19-11-14-4-3-9-21(12-14)17(23)20-10-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).