N-(piperidin-4-ylmethyl)heptanamide

C13H26N2O — CID 115736684

IUPACN-(piperidin-4-ylmethyl)heptanamide
SMILESCCCCCCC(=O)NCC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-13(16)15-11-12-7-9-14-10-8-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyMOSDVSOVOQYOFZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds7

About N-(piperidin-4-ylmethyl)heptanamide

N-(piperidin-4-ylmethyl)heptanamide (PubChem CID 115736684) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)heptanamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)heptanamide
PubChem CID115736684
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(piperidin-4-ylmethyl)heptanamide
SMILESCCCCCCC(=O)NCC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-13(16)15-11-12-7-9-14-10-8-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyMOSDVSOVOQYOFZ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
1-piperidin-4-ylundecan-2-one
CID 116559812
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)heptanamide?
The IUPAC name of N-(piperidin-4-ylmethyl)heptanamide (CID 115736684) is N-(piperidin-4-ylmethyl)heptanamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)heptanamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)heptanamide is CCCCCCC(=O)NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)heptanamide?
The InChIKey is MOSDVSOVOQYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-13(16)15-11-12-7-9-14-10-8-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-(piperidin-4-ylmethyl)heptanamide?
N-(piperidin-4-ylmethyl)heptanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)heptanamide is sourced from PubChem (CID 115736684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).