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

C18H31N5O — CID 95218100

IUPAC1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
SMILESCn1ccnc1CN1CCC[C@@H](CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-22-12-10-19-17(22)14-23-11-4-5-15(13-23)8-9-20-18(24)21-16-6-2-3-7-16/h10,12,15-16H,2-9,11,13-14H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyIWCJZCMNRFKADT-HNNXBMFYSA-N
MW333.48 g/mol
LogP2.26
Rot. Bonds6

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

1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea (PubChem CID 95218100) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
PubChem CID95218100
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
SMILESCn1ccnc1CN1CCC[C@@H](CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-22-12-10-19-17(22)14-23-11-4-5-15(13-23)8-9-20-18(24)21-16-6-2-3-7-16/h10,12,15-16H,2-9,11,13-14H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyIWCJZCMNRFKADT-HNNXBMFYSA-N
XLogP2.26
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea (CID 95218100) is 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea is Cn1ccnc1CN1CCC[C@@H](CCNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea?
The InChIKey is IWCJZCMNRFKADT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-22-12-10-19-17(22)14-23-11-4-5-15(13-23)8-9-20-18(24)21-16-6-2-3-7-16/h10,12,15-16H,2-9,11,13-14H2,1H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea?
1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 95218100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).