N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide

C23H36FN3O — CID 42594720

IUPACN-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CCN(C)CC1
InChIInChI=1S/C23H36FN3O/c1-3-27(23(28)21-10-13-25(2)14-11-21)18-20-7-5-12-26(17-20)15-9-19-6-4-8-22(24)16-19/h4,6,8,16,20-21H,3,5,7,9-15,17-18H2,1-2H3/t20-/m0/s1
InChIKeyHPDCKAMYYZXVNI-FQEVSTJZSA-N
MW389.56 g/mol
LogP3.27
Rot. Bonds7

About N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide

N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 42594720) has the molecular formula C23H36FN3O and a molecular weight of 389.56 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
PubChem CID42594720
Molecular FormulaC23H36FN3O
Molecular Weight389.56 g/mol
Exact Mass389.28
IUPAC NameN-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CCN(C)CC1
InChIInChI=1S/C23H36FN3O/c1-3-27(23(28)21-10-13-25(2)14-11-21)18-20-7-5-12-26(17-20)15-9-19-6-4-8-22(24)16-19/h4,6,8,16,20-21H,3,5,7,9-15,17-18H2,1-2H3/t20-/m0/s1
InChIKeyHPDCKAMYYZXVNI-FQEVSTJZSA-N
XLogP3.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 42393054
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-4-methyl-2-oxopentanamide
CID 42557076
N,5-diethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97275993
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45235384
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 56701966
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide
CID 45228521
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 45216720
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 42157128
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97283913
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide (CID 42594720) is N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide is CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is HPDCKAMYYZXVNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H36FN3O/c1-3-27(23(28)21-10-13-25(2)14-11-21)18-20-7-5-12-26(17-20)15-9-19-6-4-8-22(24)16-19/h4,6,8,16,20-21H,3,5,7,9-15,17-18H2,1-2H3/t20-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 389.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42594720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).