N-methyl-N-piperidin-4-ylheptanamide

C13H26N2O — CID 115736784

IUPACN-methyl-N-piperidin-4-ylheptanamide
SMILESCCCCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-7-13(16)15(2)12-8-10-14-11-9-12/h12,14H,3-11H2,1-2H3
InChIKeyOTPDFJCNSCVMSX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-N-piperidin-4-ylheptanamide

N-methyl-N-piperidin-4-ylheptanamide (PubChem CID 115736784) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-ylheptanamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-ylheptanamide
PubChem CID115736784
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-piperidin-4-ylheptanamide
SMILESCCCCCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-7-13(16)15(2)12-8-10-14-11-9-12/h12,14H,3-11H2,1-2H3
InChIKeyOTPDFJCNSCVMSX-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yl)-N-methylhexanamide
CID 66186842
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-(4-aminocyclohexyl)-N-methyloctanamide
CID 79121707
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-cyclopropyl-N-(piperidin-4-ylmethyl)hexanamide
CID 79720359
N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
CID 119442340
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-ylheptanamide?
The IUPAC name of N-methyl-N-piperidin-4-ylheptanamide (CID 115736784) is N-methyl-N-piperidin-4-ylheptanamide.
What is the SMILES notation for N-methyl-N-piperidin-4-ylheptanamide?
The canonical SMILES for N-methyl-N-piperidin-4-ylheptanamide is CCCCCCC(=O)N(C)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-ylheptanamide?
The InChIKey is OTPDFJCNSCVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-7-13(16)15(2)12-8-10-14-11-9-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-piperidin-4-ylheptanamide?
N-methyl-N-piperidin-4-ylheptanamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-ylheptanamide is sourced from PubChem (CID 115736784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).