2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide

C14H29N3O — CID 107163906

IUPAC2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-5-11(2)12(15)13(18)16-10-14(3)6-8-17(4)9-7-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyXUVXAHWAWXNERD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide

2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide (PubChem CID 107163906) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
PubChem CID107163906
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-5-11(2)12(15)13(18)16-10-14(3)6-8-17(4)9-7-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyXUVXAHWAWXNERD-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
(2S,3S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-methylpentanoic acid
CID 107164847
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide (CID 107163906) is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide?
The InChIKey is XUVXAHWAWXNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-11(2)12(15)13(18)16-10-14(3)6-8-17(4)9-7-14/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide?
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide is sourced from PubChem (CID 107163906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).