2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide

C15H31N3O — CID 54906759

IUPAC2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C15H31N3O/c1-12(2)9-14(16)15(19)17-10-13(3)11-18-7-5-4-6-8-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyVZWHDJSBSPSQAH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide

2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide (PubChem CID 54906759) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
PubChem CID54906759
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C15H31N3O/c1-12(2)9-14(16)15(19)17-10-13(3)11-18-7-5-4-6-8-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyVZWHDJSBSPSQAH-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide (CID 54906759) is 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide is CC(C)CC(N)C(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide?
The InChIKey is VZWHDJSBSPSQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)9-14(16)15(19)17-10-13(3)11-18-7-5-4-6-8-18/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide?
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 54906759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).