2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

C16H34N4O — CID 60954174

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3
InChIKeyKFXRYMKOHGEQIL-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.84
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 60954174) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID60954174
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3
InChIKeyKFXRYMKOHGEQIL-UHFFFAOYSA-N
XLogP0.84
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 61154056
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
CID 79024466
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
2-amino-N-cyclohexyl-N-ethyl-4-methylpentanamide;hydrochloride
CID 71898432
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 79805247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide (CID 60954174) is 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide is CC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is KFXRYMKOHGEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 298.48 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 60954174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).