N-methyl-3-piperidin-3-yl-N-propylbutanamide

C13H26N2O — CID 81043827

IUPACN-methyl-3-piperidin-3-yl-N-propylbutanamide
SMILESCCCN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-4-8-15(3)13(16)9-11(2)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyCRHLMZBOBLQWNN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-3-piperidin-3-yl-N-propylbutanamide

N-methyl-3-piperidin-3-yl-N-propylbutanamide (PubChem CID 81043827) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-3-piperidin-3-yl-N-propylbutanamide.

Molecular Properties

Compound NameN-methyl-3-piperidin-3-yl-N-propylbutanamide
PubChem CID81043827
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-3-piperidin-3-yl-N-propylbutanamide
SMILESCCCN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-4-8-15(3)13(16)9-11(2)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyCRHLMZBOBLQWNN-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81043953
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119818677
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-3-yl-N-propylbutanamide?
The IUPAC name of N-methyl-3-piperidin-3-yl-N-propylbutanamide (CID 81043827) is N-methyl-3-piperidin-3-yl-N-propylbutanamide.
What is the SMILES notation for N-methyl-3-piperidin-3-yl-N-propylbutanamide?
The canonical SMILES for N-methyl-3-piperidin-3-yl-N-propylbutanamide is CCCN(C)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-methyl-3-piperidin-3-yl-N-propylbutanamide?
The InChIKey is CRHLMZBOBLQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-8-15(3)13(16)9-11(2)12-6-5-7-14-10-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-methyl-3-piperidin-3-yl-N-propylbutanamide?
N-methyl-3-piperidin-3-yl-N-propylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-3-yl-N-propylbutanamide is sourced from PubChem (CID 81043827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).