N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C17H23FN2O2 — CID 169209409

IUPACN-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CC1(C(=O)N[C@H]2CCNC[C@@H]2F)CC1
InChIInChI=1S/C17H23FN2O2/c1-22-15-5-3-2-4-12(15)10-17(7-8-17)16(21)20-14-6-9-19-11-13(14)18/h2-5,13-14,19H,6-11H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyIIXPYOORDUGHJU-KBPBESRZSA-N
MW306.38 g/mol
LogP1.83
Rot. Bonds5

About N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 169209409) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID169209409
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CC1(C(=O)N[C@H]2CCNC[C@@H]2F)CC1
InChIInChI=1S/C17H23FN2O2/c1-22-15-5-3-2-4-12(15)10-17(7-8-17)16(21)20-14-6-9-19-11-13(14)18/h2-5,13-14,19H,6-11H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyIIXPYOORDUGHJU-KBPBESRZSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 169209440
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide
CID 169209387
methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
2-(2,6-dimethoxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119452551
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 65422417
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 169209409) is N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccccc1CC1(C(=O)N[C@H]2CCNC[C@@H]2F)CC1.
What is the InChIKey of N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IIXPYOORDUGHJU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-22-15-5-3-2-4-12(15)10-17(7-8-17)16(21)20-14-6-9-19-11-13(14)18/h2-5,13-14,19H,6-11H2,1H3,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169209409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).