N-(4-methylpiperidin-4-yl)azepane-1-carboxamide

C13H25N3O — CID 114696669

IUPACN-(4-methylpiperidin-4-yl)azepane-1-carboxamide
SMILESCC1(NC(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-13(6-8-14-9-7-13)15-12(17)16-10-4-2-3-5-11-16/h14H,2-11H2,1H3,(H,15,17)
InChIKeyFFBICOOXGUNFPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds1

About N-(4-methylpiperidin-4-yl)azepane-1-carboxamide

N-(4-methylpiperidin-4-yl)azepane-1-carboxamide (PubChem CID 114696669) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)azepane-1-carboxamide
PubChem CID114696669
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-methylpiperidin-4-yl)azepane-1-carboxamide
SMILESCC1(NC(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-13(6-8-14-9-7-13)15-12(17)16-10-4-2-3-5-11-16/h14H,2-11H2,1H3,(H,15,17)
InChIKeyFFBICOOXGUNFPE-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
N-(4-methylpiperidin-4-yl)-2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carboxamide;hydrochloride
CID 69405586
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
N-(1-carbamothioylcyclohexyl)pyrrolidine-1-carboxamide
CID 79161728
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)azepane-1-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)azepane-1-carboxamide (CID 114696669) is N-(4-methylpiperidin-4-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)azepane-1-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)azepane-1-carboxamide is CC1(NC(=O)N2CCCCCC2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)azepane-1-carboxamide?
The InChIKey is FFBICOOXGUNFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(6-8-14-9-7-13)15-12(17)16-10-4-2-3-5-11-16/h14H,2-11H2,1H3,(H,15,17).
What are the key properties of N-(4-methylpiperidin-4-yl)azepane-1-carboxamide?
N-(4-methylpiperidin-4-yl)azepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)azepane-1-carboxamide is sourced from PubChem (CID 114696669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).