1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea

C22H32N4O2 — CID 136583687

IUPAC1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea
SMILESC[C@H]1c2ccccc2C[C@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H32N4O2/c1-16-19-8-3-2-5-18(19)15-20(16)24-22(28)23-9-10-25-11-13-26(14-12-25)21(27)17-6-4-7-17/h2-3,5,8,16-17,20H,4,6-7,9-15H2,1H3,(H2,23,24,28)/t16-,20+/m0/s1
InChIKeyZGQCGJXENMMGHH-OXJNMPFZSA-N
MW384.52 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea (PubChem CID 136583687) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea.

Molecular Properties

Compound Name1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea
PubChem CID136583687
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea
SMILESC[C@H]1c2ccccc2C[C@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H32N4O2/c1-16-19-8-3-2-5-18(19)15-20(16)24-22(28)23-9-10-25-11-13-26(14-12-25)21(27)17-6-4-7-17/h2-3,5,8,16-17,20H,4,6-7,9-15H2,1H3,(H2,23,24,28)/t16-,20+/m0/s1
InChIKeyZGQCGJXENMMGHH-OXJNMPFZSA-N
XLogP1.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426654
1-[(2-chlorophenyl)methyl]-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111567394
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111567073
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
CID 126835975
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
CID 86944948
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111567387
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 86944767
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802772

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea?
The IUPAC name of 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea (CID 136583687) is 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea.
What is the SMILES notation for 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea?
The canonical SMILES for 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea is C[C@H]1c2ccccc2C[C@H]1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea?
The InChIKey is ZGQCGJXENMMGHH-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-19-8-3-2-5-18(19)15-20(16)24-22(28)23-9-10-25-11-13-26(14-12-25)21(27)17-6-4-7-17/h2-3,5,8,16-17,20H,4,6-7,9-15H2,1H3,(H2,23,24,28)/t16-,20+/m0/s1.
What are the key properties of 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea?
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea has a molecular weight of 384.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]urea is sourced from PubChem (CID 136583687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).