N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide

C13H27N3O — CID 81043953

IUPACN-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
SMILESCNCCN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-11(12-5-4-6-15-10-12)9-13(17)16(3)8-7-14-2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyZICHGAHTCCHNPM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.69
Rot. Bonds6

About N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide

N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 81043953) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID81043953
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
SMILESCNCCN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-11(12-5-4-6-15-10-12)9-13(17)16(3)8-7-14-2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyZICHGAHTCCHNPM-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119818677
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide (CID 81043953) is N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide is CNCCN(C)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ZICHGAHTCCHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(12-5-4-6-15-10-12)9-13(17)16(3)8-7-14-2/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide?
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).