(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride

C19H30ClFN2O — CID 120618183

IUPAC(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H29FN2O.ClH/c1-3-4-5-12-22(14-16-6-8-18(20)9-7-16)19(23)17-10-11-21-15(2)13-17;/h6-9,15,17,21H,3-5,10-14H2,1-2H3;1H/t15-,17-;/m0./s1
InChIKeyILNYVTISXNWBDQ-NBLXOJGSSA-N
MW356.91 g/mol
LogP4.15
Rot. Bonds7

About (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120618183) has the molecular formula C19H30ClFN2O and a molecular weight of 356.91 g/mol. Its IUPAC name is (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
PubChem CID120618183
Molecular FormulaC19H30ClFN2O
Molecular Weight356.91 g/mol
Exact Mass356.20
IUPAC Name(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H29FN2O.ClH/c1-3-4-5-12-22(14-16-6-8-18(20)9-7-16)19(23)17-10-11-21-15(2)13-17;/h6-9,15,17,21H,3-5,10-14H2,1-2H3;1H/t15-,17-;/m0./s1
InChIKeyILNYVTISXNWBDQ-NBLXOJGSSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride (CID 120618183) is (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride is CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ILNYVTISXNWBDQ-NBLXOJGSSA-N. The full InChI is InChI=1S/C19H29FN2O.ClH/c1-3-4-5-12-22(14-16-6-8-18(20)9-7-16)19(23)17-10-11-21-15(2)13-17;/h6-9,15,17,21H,3-5,10-14H2,1-2H3;1H/t15-,17-;/m0./s1.
What are the key properties of (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 356.91 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).