2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide

C16H31N3O2 — CID 107471478

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-12(15(21)19-8-6-5-7-9-19)18-14(20)13(11-17)10-16(2,3)4/h12-13H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyJJMONSOHZCBCMV-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide (PubChem CID 107471478) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
PubChem CID107471478
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-12(15(21)19-8-6-5-7-9-19)18-14(20)13(11-17)10-16(2,3)4/h12-13H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyJJMONSOHZCBCMV-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
CID 107472675
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide (CID 107471478) is 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide is CC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is JJMONSOHZCBCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(15(21)19-8-6-5-7-9-19)18-14(20)13(11-17)10-16(2,3)4/h12-13H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 107471478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).