1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea

C18H37N5O — CID 134434518

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
SMILESCCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C18H37N5O/c1-5-22-10-12-23(13-11-22)15-18(6-8-21(4)9-7-18)20-17(24)19-14-16(2)3/h16H,5-15H2,1-4H3,(H2,19,20,24)
InChIKeyKZZCJZXMQDTXIF-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.04
Rot. Bonds6

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea

1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea (PubChem CID 134434518) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
PubChem CID134434518
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
SMILESCCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C18H37N5O/c1-5-22-10-12-23(13-11-22)15-18(6-8-21(4)9-7-18)20-17(24)19-14-16(2)3/h16H,5-15H2,1-4H3,(H2,19,20,24)
InChIKeyKZZCJZXMQDTXIF-UHFFFAOYSA-N
XLogP1.04
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea with MolForge

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
CID 134435220
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134434989
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-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 142326925
1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
CID 148871995
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
CID 142326915
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea (CID 134434518) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea is CCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea?
The InChIKey is KZZCJZXMQDTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-5-22-10-12-23(13-11-22)15-18(6-8-21(4)9-7-18)20-17(24)19-14-16(2)3/h16H,5-15H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea?
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea has a molecular weight of 339.53 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 134434518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).