2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide

C13H27N3O — CID 106632123

IUPAC2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
SMILESCCC(C(N)=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-12(13(14)17)16(10(2)3)9-11-7-5-6-8-15-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyWCFSEFHLOYEEDK-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide

2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide (PubChem CID 106632123) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
PubChem CID106632123
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
SMILESCCC(C(N)=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-12(13(14)17)16(10(2)3)9-11-7-5-6-8-15-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyWCFSEFHLOYEEDK-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
CID 66272994
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide?
The IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide (CID 106632123) is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide is CCC(C(N)=O)N(CC1CCCCN1)C(C)C.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide?
The InChIKey is WCFSEFHLOYEEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-12(13(14)17)16(10(2)3)9-11-7-5-6-8-15-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide?
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 106632123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).