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

C16H25N5O2 — CID 97202256

IUPAC[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](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)/t13-/m0/s1
InChIKeyVJPHKQAJURORLH-ZDUSSCGKSA-N
MW319.41 g/mol
LogP1.06
Rot. Bonds5

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

[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 97202256) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID97202256
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](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)/t13-/m0/s1
InChIKeyVJPHKQAJURORLH-ZDUSSCGKSA-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

[2-oxo-2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147491
[2-oxo-2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147492
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 72931230
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 72916265
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea (CID 97202256) is [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is VJPHKQAJURORLH-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of [2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[(3S)-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-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 97202256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).