N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide

C18H26N2O2 — CID 110921226

IUPACN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1CCC1
InChIInChI=1S/C18H26N2O2/c21-13-14-7-9-20(10-8-14)12-15-3-1-6-17(11-15)19-18(22)16-4-2-5-16/h1,3,6,11,14,16,21H,2,4-5,7-10,12-13H2,(H,19,22)
InChIKeyVVWBJSXUSNHCET-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.63
Rot. Bonds5

About N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 110921226) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
PubChem CID110921226
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1CCC1
InChIInChI=1S/C18H26N2O2/c21-13-14-7-9-20(10-8-14)12-15-3-1-6-17(11-15)19-18(22)16-4-2-5-16/h1,3,6,11,14,16,21H,2,4-5,7-10,12-13H2,(H,19,22)
InChIKeyVVWBJSXUSNHCET-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119872337
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 110921212
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide (CID 110921226) is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1CCC1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is VVWBJSXUSNHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-13-14-7-9-20(10-8-14)12-15-3-1-6-17(11-15)19-18(22)16-4-2-5-16/h1,3,6,11,14,16,21H,2,4-5,7-10,12-13H2,(H,19,22).
What are the key properties of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 110921226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).