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

C18H31N5O — CID 95222401

IUPAC1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
SMILESCc1[nH]cnc1CN1CCC[C@H](CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-14-17(21-13-20-14)12-23-10-4-5-15(11-23)8-9-19-18(24)22-16-6-2-3-7-16/h13,15-16H,2-12H2,1H3,(H,20,21)(H2,19,22,24)/t15-/m1/s1
InChIKeyAASOUPRUADELER-OAHLLOKOSA-N
MW333.48 g/mol
LogP2.56
Rot. Bonds6

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

1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea (PubChem CID 95222401) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
PubChem CID95222401
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
SMILESCc1[nH]cnc1CN1CCC[C@H](CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-14-17(21-13-20-14)12-23-10-4-5-15(11-23)8-9-19-18(24)22-16-6-2-3-7-16/h13,15-16H,2-12H2,1H3,(H,20,21)(H2,19,22,24)/t15-/m1/s1
InChIKeyAASOUPRUADELER-OAHLLOKOSA-N
XLogP2.56
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea (CID 95222401) is 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea is Cc1[nH]cnc1CN1CCC[C@H](CCNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea?
The InChIKey is AASOUPRUADELER-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-17(21-13-20-14)12-23-10-4-5-15(11-23)8-9-19-18(24)22-16-6-2-3-7-16/h13,15-16H,2-12H2,1H3,(H,20,21)(H2,19,22,24)/t15-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea?
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 95222401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).