1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea

C19H34N6O — CID 131910924

IUPAC1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea
SMILESCc1cnc(CN(C)C(=O)NCC2CCN(C3CCN(C)CC3)CC2)[nH]1
InChIInChI=1S/C19H34N6O/c1-15-12-20-18(22-15)14-24(3)19(26)21-13-16-4-10-25(11-5-16)17-6-8-23(2)9-7-17/h12,16-17H,4-11,13-14H2,1-3H3,(H,20,22)(H,21,26)
InChIKeyGGSKZXRPYJUHAZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.67
Rot. Bonds5

About 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea (PubChem CID 131910924) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea
PubChem CID131910924
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea
SMILESCc1cnc(CN(C)C(=O)NCC2CCN(C3CCN(C)CC3)CC2)[nH]1
InChIInChI=1S/C19H34N6O/c1-15-12-20-18(22-15)14-24(3)19(26)21-13-16-4-10-25(11-5-16)17-6-8-23(2)9-7-17/h12,16-17H,4-11,13-14H2,1-3H3,(H,20,22)(H,21,26)
InChIKeyGGSKZXRPYJUHAZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45186446
(4aR*,8aR*)-2-acetyl-7-[(4-methyl-1H-imidazol-2-yl)methyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72841631
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97407000
N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440498
7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97523269
tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
1-cyclohexyl-N-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72917953
N-Cyclohexyl-4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
CID 91911697
2-(1-Acetylpiperidin-4-YL)-N-[2-(5-methyl-1-propyl-1H-imidazol-2-YL)ethyl]acetamide
CID 91911723
2-(1-acetyl-4-piperidyl)-N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91911725
4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 91923574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea (CID 131910924) is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea is Cc1cnc(CN(C)C(=O)NCC2CCN(C3CCN(C)CC3)CC2)[nH]1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea?
The InChIKey is GGSKZXRPYJUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15-12-20-18(22-15)14-24(3)19(26)21-13-16-4-10-25(11-5-16)17-6-8-23(2)9-7-17/h12,16-17H,4-11,13-14H2,1-3H3,(H,20,22)(H,21,26).
What are the key properties of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea?
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea has a molecular weight of 362.52 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 131910924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).