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

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

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Launch Full Analysis

Related Compounds

4-ethyl-5-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56712006
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
(1S*,5R*)-3-[(4-methyl-1H-imidazol-5-yl)methyl]-6-(4,4,4-trifluorobutanoyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72864928
4,4,4-trifluoro-1-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]butan-1-one
CID 133137589
9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45175930
3-butyl-1-methyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-2-one
CID 50961113
N,2,2,6,6-pentamethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 50971526
N-cyclopentyl-N,N'-dimethyl-N'-[(4-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
CID 50974480
N-(tert-butyl)-N'-({1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)urea
CID 56747975
1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 56749862
(3S*,4R*)-N,N-dimethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinamine
CID 70777966

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).