N-(piperidin-3-ylmethyl)azepane-1-carboxamide

C13H25N3O — CID 79152631

IUPACN-(piperidin-3-ylmethyl)azepane-1-carboxamide
SMILESO=C(NCC1CCCNC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c17-13(16-8-3-1-2-4-9-16)15-11-12-6-5-7-14-10-12/h12,14H,1-11H2,(H,15,17)
InChIKeyFRHXZMKLTCNPAL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.57
Rot. Bonds2

About N-(piperidin-3-ylmethyl)azepane-1-carboxamide

N-(piperidin-3-ylmethyl)azepane-1-carboxamide (PubChem CID 79152631) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)azepane-1-carboxamide
PubChem CID79152631
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(piperidin-3-ylmethyl)azepane-1-carboxamide
SMILESO=C(NCC1CCCNC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c17-13(16-8-3-1-2-4-9-16)15-11-12-6-5-7-14-10-12/h12,14H,1-11H2,(H,15,17)
InChIKeyFRHXZMKLTCNPAL-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235876
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
CID 69280006
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)azepane-1-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)azepane-1-carboxamide (CID 79152631) is N-(piperidin-3-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)azepane-1-carboxamide is O=C(NCC1CCCNC1)N1CCCCCC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)azepane-1-carboxamide?
The InChIKey is FRHXZMKLTCNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13(16-8-3-1-2-4-9-16)15-11-12-6-5-7-14-10-12/h12,14H,1-11H2,(H,15,17).
What are the key properties of N-(piperidin-3-ylmethyl)azepane-1-carboxamide?
N-(piperidin-3-ylmethyl)azepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 79152631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).