N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide

C19H38N4O — CID 134435220

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
SMILESCCN1CCN(CC2(NC(=O)C(C)C(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C19H38N4O/c1-6-22-11-13-23(14-12-22)15-19(7-9-21(5)10-8-19)20-18(24)17(4)16(2)3/h16-17H,6-15H2,1-5H3,(H,20,24)
InChIKeyBGVFNHLQCWKKCT-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.50
Rot. Bonds6

About N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide (PubChem CID 134435220) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
PubChem CID134435220
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
SMILESCCN1CCN(CC2(NC(=O)C(C)C(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C19H38N4O/c1-6-22-11-13-23(14-12-22)15-19(7-9-21(5)10-8-19)20-18(24)17(4)16(2)3/h16-17H,6-15H2,1-5H3,(H,20,24)
InChIKeyBGVFNHLQCWKKCT-UHFFFAOYSA-N
XLogP1.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134434989
ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
CID 142326915
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
1-ethyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65421201
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide (CID 134435220) is N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide is CCN1CCN(CC2(NC(=O)C(C)C(C)C)CCN(C)CC2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide?
The InChIKey is BGVFNHLQCWKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-6-22-11-13-23(14-12-22)15-19(7-9-21(5)10-8-19)20-18(24)17(4)16(2)3/h16-17H,6-15H2,1-5H3,(H,20,24).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide has a molecular weight of 338.54 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide is sourced from PubChem (CID 134435220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).