2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide

C26H42N4O4 — CID 140845379

IUPAC2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide
SMILESO=C(CC1CNC1)NC1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1
InChIInChI=1S/C26H42N4O4/c31-23(14-18-16-27-17-18)28-22-3-1-2-21(15-22)19-4-6-20(7-5-19)24(32)29-10-12-30(13-11-29)25(33)26(34)8-9-26/h18-22,27,34H,1-17H2,(H,28,31)
InChIKeyAFGFYNUJUOQGOL-UHFFFAOYSA-N
MW474.65 g/mol
LogP1.27
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide

2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide (PubChem CID 140845379) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide
PubChem CID140845379
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Name2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide
SMILESO=C(CC1CNC1)NC1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1
InChIInChI=1S/C26H42N4O4/c31-23(14-18-16-27-17-18)28-22-3-1-2-21(15-22)19-4-6-20(7-5-19)24(32)29-10-12-30(13-11-29)25(33)26(34)8-9-26/h18-22,27,34H,1-17H2,(H,28,31)
InChIKeyAFGFYNUJUOQGOL-UHFFFAOYSA-N
XLogP1.27
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide 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

N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
CID 153420716
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(2-methylidene-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)cyclohexyl]methanone
CID 153420588
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
[4-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420647
[4-[3-(4-cyclooctyl-5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 163690376
[4-(2,5-dimethylcyclohexyl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420618
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 140646753
2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
CID 65471237
[1-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)cyclohexanecarbonyl]piperidin-4-yl]-(1-hydroxycyclopropyl)methanone
CID 140816276
N-(4-aminocyclohexyl)-2-(azetidin-3-yl)acetamide
CID 64612464
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine
CID 119160397
N-(3-hydroxycyclohexyl)-2-piperidin-3-ylacetamide
CID 62675235

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide (CID 140845379) is 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide is O=C(CC1CNC1)NC1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)CC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide?
The InChIKey is AFGFYNUJUOQGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O4/c31-23(14-18-16-27-17-18)28-22-3-1-2-21(15-22)19-4-6-20(7-5-19)24(32)29-10-12-30(13-11-29)25(33)26(34)8-9-26/h18-22,27,34H,1-17H2,(H,28,31).
What are the key properties of 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide?
2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide has a molecular weight of 474.65 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide is sourced from PubChem (CID 140845379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).