1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide

C17H21FN2O3 — CID 95862503

IUPAC1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H21FN2O3/c18-13-3-5-14(6-4-13)23-11-12-2-1-9-20(10-12)16(22)17(7-8-17)15(19)21/h3-6,12H,1-2,7-11H2,(H2,19,21)/t12-/m1/s1
InChIKeyJFLGKTTZSGBOTR-GFCCVEGCSA-N
MW320.36 g/mol
LogP1.71
Rot. Bonds5

About 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide

1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 95862503) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID95862503
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H21FN2O3/c18-13-3-5-14(6-4-13)23-11-12-2-1-9-20(10-12)16(22)17(7-8-17)15(19)21/h3-6,12H,1-2,7-11H2,(H2,19,21)/t12-/m1/s1
InChIKeyJFLGKTTZSGBOTR-GFCCVEGCSA-N
XLogP1.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 125441231
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
1-[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97110125
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 91842144
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 45230163
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide (CID 95862503) is 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide is NC(=O)C1(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is JFLGKTTZSGBOTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-13-3-5-14(6-4-13)23-11-12-2-1-9-20(10-12)16(22)17(7-8-17)15(19)21/h3-6,12H,1-2,7-11H2,(H2,19,21)/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide?
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95862503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).