1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea

C22H43N3O5 — CID 78156094

IUPAC1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
SMILESCCCNC(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1
InChIInChI=1S/C22H43N3O5/c1-2-12-23-22(30)25(17-10-6-5-7-11-17)14-9-4-3-8-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,2-16H2,1H3,(H,23,30)
InChIKeySEZFQHFNLSCDPB-UHFFFAOYSA-N
MW429.60 g/mol
LogP1.06
Rot. Bonds11

About 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea

1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea (PubChem CID 78156094) has the molecular formula C22H43N3O5 and a molecular weight of 429.60 g/mol. Its IUPAC name is 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
PubChem CID78156094
Molecular FormulaC22H43N3O5
Molecular Weight429.60 g/mol
Exact Mass429.32
IUPAC Name1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
SMILESCCCNC(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1
InChIInChI=1S/C22H43N3O5/c1-2-12-23-22(30)25(17-10-6-5-7-11-17)14-9-4-3-8-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,2-16H2,1H3,(H,23,30)
InChIKeySEZFQHFNLSCDPB-UHFFFAOYSA-N
XLogP1.06
TPSA116.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.60
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ihvr-19029
CID 71713800
N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide
CID 71720173
1-cyclohexyl-1-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
CID 71713640
1-cyclohexyl-3-propyl-1-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
CID 71713799
(2R,3R,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carboxamide
CID 76314822
(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 134893274
1-(2,3,4,5,6-Pentahydroxyhexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 60083103
1-Cyclohexyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
CID 78156038
3-tert-butyl-1-cyclohexyl-1-[6-[(2S,4S,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
CID 89830324
(2R,3R,4R,5S)-1-[6-(cyclohexylamino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 89830450
1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-propan-2-ylurea
CID 118459090
1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-propan-2-ylurea
CID 118459093

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea?
The IUPAC name of 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea (CID 78156094) is 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea?
The canonical SMILES for 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea is CCCNC(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea?
The InChIKey is SEZFQHFNLSCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O5/c1-2-12-23-22(30)25(17-10-6-5-7-11-17)14-9-4-3-8-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,2-16H2,1H3,(H,23,30).
What are the key properties of 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea?
1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea has a molecular weight of 429.60 g/mol, XLogP of 1.06, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propyl-1-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea is sourced from PubChem (CID 78156094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).