2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide

C14H29N3O — CID 54906618

IUPAC2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)C(N)C(C)C)CN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)14(18)16-9-12(3)10-17-7-5-4-6-8-17/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPLRUIAPMWBVCFC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide

2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide (PubChem CID 54906618) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
PubChem CID54906618
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)C(N)C(C)C)CN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)14(18)16-9-12(3)10-17-7-5-4-6-8-17/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPLRUIAPMWBVCFC-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide (CID 54906618) is 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide is CC(CNC(=O)C(N)C(C)C)CN1CCCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide?
The InChIKey is PLRUIAPMWBVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(15)14(18)16-9-12(3)10-17-7-5-4-6-8-17/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide?
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 54906618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).