3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea

C18H29N5O2 — CID 126434909

IUPAC3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCN(Cc1nccn1C)C(=O)NC[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H29N5O2/c1-3-22(13-16-19-8-10-21(16)2)18(25)20-11-14-5-4-9-23(12-14)17(24)15-6-7-15/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeySIFFPBVUARKDHR-AWEZNQCLSA-N
MW347.46 g/mol
LogP1.60
Rot. Bonds6

About 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea

3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 126434909) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID126434909
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCN(Cc1nccn1C)C(=O)NC[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H29N5O2/c1-3-22(13-16-19-8-10-21(16)2)18(25)20-11-14-5-4-9-23(12-14)17(24)15-6-7-15/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeySIFFPBVUARKDHR-AWEZNQCLSA-N
XLogP1.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
CID 126430063
1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
CID 154909219
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 42596308
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 45175764
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 122569518

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea (CID 126434909) is 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea is CCN(Cc1nccn1C)C(=O)NC[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is SIFFPBVUARKDHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-22(13-16-19-8-10-21(16)2)18(25)20-11-14-5-4-9-23(12-14)17(24)15-6-7-15/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea?
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 347.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 126434909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).