N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide

C17H29N3O3 — CID 95298972

IUPACN-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN([C@@H]2CCOC2=O)CC1)C1CCCCC1
InChIInChI=1S/C17H29N3O3/c1-18(14-5-3-2-4-6-14)16(21)13-19-8-10-20(11-9-19)15-7-12-23-17(15)22/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyBGZQFIFBHIKKDO-OAHLLOKOSA-N
MW323.44 g/mol
LogP0.71
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide (PubChem CID 95298972) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
PubChem CID95298972
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN([C@@H]2CCOC2=O)CC1)C1CCCCC1
InChIInChI=1S/C17H29N3O3/c1-18(14-5-3-2-4-6-14)16(21)13-19-8-10-20(11-9-19)15-7-12-23-17(15)22/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyBGZQFIFBHIKKDO-OAHLLOKOSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97344150
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide (CID 95298972) is N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide is CN(C(=O)CN1CCN([C@@H]2CCOC2=O)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide?
The InChIKey is BGZQFIFBHIKKDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-18(14-5-3-2-4-6-14)16(21)13-19-8-10-20(11-9-19)15-7-12-23-17(15)22/h14-15H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95298972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).