N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide

C18H25FN2O2 — CID 86792113

IUPACN-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCC2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-17(13-22)8-10-21(11-9-17)16(23)20-12-18(6-7-18)14-4-2-3-5-15(14)19/h2-5,22H,6-13H2,1H3,(H,20,23)
InChIKeyNCEABVVONVEYRJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.66
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide (PubChem CID 86792113) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
PubChem CID86792113
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCC2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-17(13-22)8-10-21(11-9-17)16(23)20-12-18(6-7-18)14-4-2-3-5-15(14)19/h2-5,22H,6-13H2,1H3,(H,20,23)
InChIKeyNCEABVVONVEYRJ-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011756
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
CID 110481161
4-(2-fluorophenyl)-4-prop-2-ynylpiperidine-1-carboxylic acid
CID 87216733
1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
CID 111435263
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
CID 86777752

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide (CID 86792113) is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide is CC1(CO)CCN(C(=O)NCC2(c3ccccc3F)CC2)CC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is NCEABVVONVEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-17(13-22)8-10-21(11-9-17)16(23)20-12-18(6-7-18)14-4-2-3-5-15(14)19/h2-5,22H,6-13H2,1H3,(H,20,23).
What are the key properties of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide?
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 86792113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).