4-(hydroxymethyl)-N-methylazepane-1-carboxamide

C9H18N2O2 — CID 130892258

IUPAC4-(hydroxymethyl)-N-methylazepane-1-carboxamide
SMILESCNC(=O)N1CCCC(CO)CC1
InChIInChI=1S/C9H18N2O2/c1-10-9(13)11-5-2-3-8(7-12)4-6-11/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyLZMWEZGTPDPSGO-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.42
Rot. Bonds1

About 4-(hydroxymethyl)-N-methylazepane-1-carboxamide

4-(hydroxymethyl)-N-methylazepane-1-carboxamide (PubChem CID 130892258) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-methylazepane-1-carboxamide
PubChem CID130892258
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(hydroxymethyl)-N-methylazepane-1-carboxamide
SMILESCNC(=O)N1CCCC(CO)CC1
InChIInChI=1S/C9H18N2O2/c1-10-9(13)11-5-2-3-8(7-12)4-6-11/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyLZMWEZGTPDPSGO-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
N,4-diethylazepane-1-carboxamide
CID 89043568
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
N-(1-cyclohexylethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111507122
N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111722585
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-methylazepane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-methylazepane-1-carboxamide (CID 130892258) is 4-(hydroxymethyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-methylazepane-1-carboxamide is CNC(=O)N1CCCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-methylazepane-1-carboxamide?
The InChIKey is LZMWEZGTPDPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-9(13)11-5-2-3-8(7-12)4-6-11/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of 4-(hydroxymethyl)-N-methylazepane-1-carboxamide?
4-(hydroxymethyl)-N-methylazepane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 130892258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).