N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide

C17H23FN2O2 — CID 78149401

IUPACN-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CN(Cc2cccc(F)c2)CCC1CO)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-1-2-12(8-15)9-20-7-6-14(11-21)16(10-20)19-17(22)13-4-5-13/h1-3,8,13-14,16,21H,4-7,9-11H2,(H,19,22)
InChIKeyUSSBBIQMNJWXID-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.53
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 78149401) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID78149401
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CN(Cc2cccc(F)c2)CCC1CO)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-1-2-12(8-15)9-20-7-6-14(11-21)16(10-20)19-17(22)13-4-5-13/h1-3,8,13-14,16,21H,4-7,9-11H2,(H,19,22)
InChIKeyUSSBBIQMNJWXID-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 78149401) is N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide is O=C(NC1CN(Cc2cccc(F)c2)CCC1CO)C1CC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is USSBBIQMNJWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-3-1-2-12(8-15)9-20-7-6-14(11-21)16(10-20)19-17(22)13-4-5-13/h1-3,8,13-14,16,21H,4-7,9-11H2,(H,19,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 78149401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).