N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide

C20H29FN2O — CID 42393054

IUPACN-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC1
InChIInChI=1S/C20H29FN2O/c1-2-23(20(24)18-8-9-18)15-17-6-4-11-22(14-17)12-10-16-5-3-7-19(21)13-16/h3,5,7,13,17-18H,2,4,6,8-12,14-15H2,1H3/t17-/m1/s1
InChIKeyKCPHCYHSHDDPQX-QGZVFWFLSA-N
MW332.46 g/mol
LogP3.34
Rot. Bonds7

About N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 42393054) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID42393054
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC NameN-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC1
InChIInChI=1S/C20H29FN2O/c1-2-23(20(24)18-8-9-18)15-17-6-4-11-22(14-17)12-10-16-5-3-7-19(21)13-16/h3,5,7,13,17-18H,2,4,6,8-12,14-15H2,1H3/t17-/m1/s1
InChIKeyKCPHCYHSHDDPQX-QGZVFWFLSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 42594720
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
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide (CID 42393054) is N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide is CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is KCPHCYHSHDDPQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-2-23(20(24)18-8-9-18)15-17-6-4-11-22(14-17)12-10-16-5-3-7-19(21)13-16/h3,5,7,13,17-18H,2,4,6,8-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 332.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 42393054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).