2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide

C14H27N3O2 — CID 107472255

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
SMILESCN1CC(NC(=O)C(CN)CC(C)(C)C)CCC1=O
InChIInChI=1S/C14H27N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h10-11H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyVCGNCUUSYXMEJJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.73
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide (PubChem CID 107472255) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
PubChem CID107472255
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
SMILESCN1CC(NC(=O)C(CN)CC(C)(C)C)CCC1=O
InChIInChI=1S/C14H27N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h10-11H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyVCGNCUUSYXMEJJ-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
N,N-Diethylpiperidine-3-carboxamide
CID 18793
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57341633
2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57343683
(3R,6R)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 12206395
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
Cyclo-(L-Val-L-Leu)
CID 124306170
(3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 44566899

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide (CID 107472255) is 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide is CN1CC(NC(=O)C(CN)CC(C)(C)C)CCC1=O.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide?
The InChIKey is VCGNCUUSYXMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h10-11H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.73, 4 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-methyl-6-oxopiperidin-3-yl)pentanamide is sourced from PubChem (CID 107472255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).