(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide

C19H25FN2O2 — CID 125441231

IUPAC(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
SMILESO=C(NC1(C2CC2)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O2/c20-16-5-7-17(8-6-16)24-13-14-2-1-11-22(12-14)18(23)21-19(9-10-19)15-3-4-15/h5-8,14-15H,1-4,9-13H2,(H,21,23)/t14-/m0/s1
InChIKeyFGBOAFYGYPAZGR-AWEZNQCLSA-N
MW332.42 g/mol
LogP3.57
Rot. Bonds5

About (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide

(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide (PubChem CID 125441231) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
PubChem CID125441231
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
SMILESO=C(NC1(C2CC2)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O2/c20-16-5-7-17(8-6-16)24-13-14-2-1-11-22(12-14)18(23)21-19(9-10-19)15-3-4-15/h5-8,14-15H,1-4,9-13H2,(H,21,23)/t14-/m0/s1
InChIKeyFGBOAFYGYPAZGR-AWEZNQCLSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95862503
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 119071193
1-[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97110125
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide (CID 125441231) is (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide is O=C(NC1(C2CC2)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is FGBOAFYGYPAZGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-5-7-17(8-6-16)24-13-14-2-1-11-22(12-14)18(23)21-19(9-10-19)15-3-4-15/h5-8,14-15H,1-4,9-13H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide?
(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125441231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).