N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide

C14H29N3O — CID 109017680

IUPACN-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C14H29N3O/c1-4-6-8-15(3)14(18)7-9-17-12-10-16(5-2)11-13-17/h4-13H2,1-3H3
InChIKeyKQCXGIFALNSFGC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.27
Rot. Bonds7

About N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide

N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide (PubChem CID 109017680) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
PubChem CID109017680
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C14H29N3O/c1-4-6-8-15(3)14(18)7-9-17-12-10-16(5-2)11-13-17/h4-13H2,1-3H3
InChIKeyKQCXGIFALNSFGC-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide (CID 109017680) is N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide is CCCCN(C)C(=O)CCN1CCN(CC)CC1.
What is the InChIKey of N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The InChIKey is KQCXGIFALNSFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-6-8-15(3)14(18)7-9-17-12-10-16(5-2)11-13-17/h4-13H2,1-3H3.
What are the key properties of N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 109017680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).