1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol

C18H31N3O4S — CID 45216916

IUPAC1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol
SMILESCOCCCn1c(CN2CCCC(O)C2)cnc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C18H31N3O4S/c1-25-11-5-10-21-15(13-20-9-4-6-16(22)14-20)12-19-18(21)26(23,24)17-7-2-3-8-17/h12,16-17,22H,2-11,13-14H2,1H3
InChIKeyDTCRWCHIVZVEGP-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.59
Rot. Bonds8

About 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol

1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol (PubChem CID 45216916) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol
PubChem CID45216916
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol
SMILESCOCCCn1c(CN2CCCC(O)C2)cnc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C18H31N3O4S/c1-25-11-5-10-21-15(13-20-9-4-6-16(22)14-20)12-19-18(21)26(23,24)17-7-2-3-8-17/h12,16-17,22H,2-11,13-14H2,1H3
InChIKeyDTCRWCHIVZVEGP-UHFFFAOYSA-N
XLogP1.59
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol (CID 45216916) is 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol is COCCCn1c(CN2CCCC(O)C2)cnc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is DTCRWCHIVZVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-25-11-5-10-21-15(13-20-9-4-6-16(22)14-20)12-19-18(21)26(23,24)17-7-2-3-8-17/h12,16-17,22H,2-11,13-14H2,1H3.
What are the key properties of 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol?
1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 385.53 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 45216916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).