1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea

C18H36N4O — CID 56787685

IUPAC1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H36N4O/c1-18(2,22-11-9-16(10-12-22)20(3)4)14-19-17(23)21(5)13-15-7-6-8-15/h15-16H,6-14H2,1-5H3,(H,19,23)
InChIKeyJCQFOLDMVKQOEB-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.23
Rot. Bonds6

About 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea

1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea (PubChem CID 56787685) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea
PubChem CID56787685
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H36N4O/c1-18(2,22-11-9-16(10-12-22)20(3)4)14-19-17(23)21(5)13-15-7-6-8-15/h15-16H,6-14H2,1-5H3,(H,19,23)
InChIKeyJCQFOLDMVKQOEB-UHFFFAOYSA-N
XLogP2.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 60569589
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 97070731
1-(1-Tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea
CID 167924618
4-((2,4-dimethylpiperazin-1-yl)methyl)-N-isopropylpiperidine-1-carboxamide
CID 71784791
N-(tert-butyl)-4-((2,4-dimethylpiperazin-1-yl)methyl)piperidine-1-carboxamide
CID 71784792
1-Tert-butyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]urea
CID 58279585
4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 68165120
4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide
CID 68165538
N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 71096317
1-[(3S)-1-(3-aminopropyl)piperidin-3-yl]-3-tert-butylurea
CID 89492846
1-[(3R)-1-(3-aminopropyl)piperidin-3-yl]-3-tert-butylurea
CID 89492847
1-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-3-tert-butylurea
CID 89492865

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea (CID 56787685) is 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea is CN(CC1CCC1)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea?
The InChIKey is JCQFOLDMVKQOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-18(2,22-11-9-16(10-12-22)20(3)4)14-19-17(23)21(5)13-15-7-6-8-15/h15-16H,6-14H2,1-5H3,(H,19,23).
What are the key properties of 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea?
1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea has a molecular weight of 324.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1-methylurea is sourced from PubChem (CID 56787685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).