1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C23H36N4O — CID 125443735

IUPAC1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCN1CCN(C2(CNC(=O)N(C)[C@H]3CCCc4ccccc43)CCCC2)CC1
InChIInChI=1S/C23H36N4O/c1-25-14-16-27(17-15-25)23(12-5-6-13-23)18-24-22(28)26(2)21-11-7-9-19-8-3-4-10-20(19)21/h3-4,8,10,21H,5-7,9,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyAHLYQJRYKYRJKL-NRFANRHFSA-N
MW384.57 g/mol
LogP3.27
Rot. Bonds4

About 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 125443735) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID125443735
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCN1CCN(C2(CNC(=O)N(C)[C@H]3CCCc4ccccc43)CCCC2)CC1
InChIInChI=1S/C23H36N4O/c1-25-14-16-27(17-15-25)23(12-5-6-13-23)18-24-22(28)26(2)21-11-7-9-19-8-3-4-10-20(19)21/h3-4,8,10,21H,5-7,9,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyAHLYQJRYKYRJKL-NRFANRHFSA-N
XLogP3.27
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47048720
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 94119006
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
CID 97149001
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 125443735) is 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is CN1CCN(C2(CNC(=O)N(C)[C@H]3CCCc4ccccc43)CCCC2)CC1.
What is the InChIKey of 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is AHLYQJRYKYRJKL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H36N4O/c1-25-14-16-27(17-15-25)23(12-5-6-13-23)18-24-22(28)26(2)21-11-7-9-19-8-3-4-10-20(19)21/h3-4,8,10,21H,5-7,9,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1.
What are the key properties of 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 384.57 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 125443735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).