1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea

C20H32N4O — CID 124872768

IUPAC1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea
SMILESC[C@H](CN1CCN(C)CC1)NC(=O)NCC1CC(c2ccccc2)C1
InChIInChI=1S/C20H32N4O/c1-16(15-24-10-8-23(2)9-11-24)22-20(25)21-14-17-12-19(13-17)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H2,21,22,25)/t16-,17?,19?/m1/s1
InChIKeySZLFTHAAJXXYKD-LRYGQEGESA-N
MW344.50 g/mol
LogP2.12
Rot. Bonds6

About 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea

1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea (PubChem CID 124872768) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea
PubChem CID124872768
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea
SMILESC[C@H](CN1CCN(C)CC1)NC(=O)NCC1CC(c2ccccc2)C1
InChIInChI=1S/C20H32N4O/c1-16(15-24-10-8-23(2)9-11-24)22-20(25)21-14-17-12-19(13-17)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H2,21,22,25)/t16-,17?,19?/m1/s1
InChIKeySZLFTHAAJXXYKD-LRYGQEGESA-N
XLogP2.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea with MolForge

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
CID 111109574
1-[(3,5-difluorophenyl)methyl]-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 75369977
1-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 95759922
1-(3-methyl-2-phenylbutyl)-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886133
1-(4-cyanophenyl)-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95313273
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 119051837
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
1-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 131904680
1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
CID 178166230
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722685
5-hydroxy-N-[(3-phenylcyclobutyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 166370695

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea (CID 124872768) is 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea is C[C@H](CN1CCN(C)CC1)NC(=O)NCC1CC(c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea?
The InChIKey is SZLFTHAAJXXYKD-LRYGQEGESA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(15-24-10-8-23(2)9-11-24)22-20(25)21-14-17-12-19(13-17)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H2,21,22,25)/t16-,17?,19?/m1/s1.
What are the key properties of 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea?
1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea has a molecular weight of 344.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 124872768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).