2-[methyl(2-piperidin-2-ylethyl)amino]butanamide

C12H25N3O — CID 66272994

IUPAC2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CCC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-3-11(12(13)16)15(2)9-7-10-6-4-5-8-14-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyTWWVMRDRSBNIQG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide

2-[methyl(2-piperidin-2-ylethyl)amino]butanamide (PubChem CID 66272994) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide.

Molecular Properties

Compound Name2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
PubChem CID66272994
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CCC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-3-11(12(13)16)15(2)9-7-10-6-4-5-8-14-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyTWWVMRDRSBNIQG-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
N-carbamoyl-2-[methyl(2-piperidin-2-ylethyl)amino]propanamide
CID 66273844
2-[methyl(2-piperidin-2-ylethyl)amino]-N-pentan-3-ylpropanamide
CID 66274056
1-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 61451310
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
CID 116500370
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
2-[methyl(propyl)amino]butanamide
CID 62900463
N-(2-fluoroethyl)-N-methyl-2-piperidin-2-ylethanamine
CID 80696333
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide?
The IUPAC name of 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide (CID 66272994) is 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide.
What is the SMILES notation for 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide?
The canonical SMILES for 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide is CCC(C(N)=O)N(C)CCC1CCCCN1.
What is the InChIKey of 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide?
The InChIKey is TWWVMRDRSBNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(12(13)16)15(2)9-7-10-6-4-5-8-14-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide?
2-[methyl(2-piperidin-2-ylethyl)amino]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-piperidin-2-ylethyl)amino]butanamide is sourced from PubChem (CID 66272994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).