N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

C17H25FN2O2 — CID 111109172

IUPACN-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O2/c1-2-19-16(21)9-12-20-10-7-14(8-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,14,17,22H,2,7-12H2,1H3,(H,19,21)
InChIKeyMDNKTTVYKGSKER-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (PubChem CID 111109172) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
PubChem CID111109172
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O2/c1-2-19-16(21)9-12-20-10-7-14(8-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,14,17,22H,2,7-12H2,1H3,(H,19,21)
InChIKeyMDNKTTVYKGSKER-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 111487961
(4-fluorophenyl)-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methanol
CID 111434911
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
CID 111109476
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
2-(1-ethylpiperidin-4-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 72923503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (CID 111109172) is N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is CCNC(=O)CCN1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The InChIKey is MDNKTTVYKGSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-19-16(21)9-12-20-10-7-14(8-11-20)17(22)13-3-5-15(18)6-4-13/h3-6,14,17,22H,2,7-12H2,1H3,(H,19,21).
What are the key properties of N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 111109172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).