[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea

C16H25N5O2 — CID 72904808

IUPAC[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C16H25N5O2/c17-16(23)19-9-14(22)20-7-2-5-13(11-20)15-18-6-8-21(15)10-12-3-1-4-12/h6,8,12-13H,1-5,7,9-11H2,(H3,17,19,23)
InChIKeyVJPHKQAJURORLH-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.06
Rot. Bonds5

About [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea

[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 72904808) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID72904808
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C16H25N5O2/c17-16(23)19-9-14(22)20-7-2-5-13(11-20)15-18-6-8-21(15)10-12-3-1-4-12/h6,8,12-13H,1-5,7,9-11H2,(H3,17,19,23)
InChIKeyVJPHKQAJURORLH-UHFFFAOYSA-N
XLogP1.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
N-(2-acetamidoethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 72144067
2-acetamido-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72149765
2-[methyl(propan-2-yl)amino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150049
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947

Frequently Asked Questions

What is the IUPAC name of [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea (CID 72904808) is [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is VJPHKQAJURORLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-16(23)19-9-14(22)20-7-2-5-13(11-20)15-18-6-8-21(15)10-12-3-1-4-12/h6,8,12-13H,1-5,7,9-11H2,(H3,17,19,23).
What are the key properties of [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 72904808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).