2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide

C20H35N3O — CID 99696313

IUPAC2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(N[C@@H]2CCCC[C@H]2C2=CCCCC2)CC1
InChIInChI=1S/C20H35N3O/c1-21-20(24)15-23-13-11-17(12-14-23)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h7,17-19,22H,2-6,8-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyVLTIORNOHUZGMB-RBUKOAKNSA-N
MW333.52 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 99696313) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide
PubChem CID99696313
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(N[C@@H]2CCCC[C@H]2C2=CCCCC2)CC1
InChIInChI=1S/C20H35N3O/c1-21-20(24)15-23-13-11-17(12-14-23)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h7,17-19,22H,2-6,8-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyVLTIORNOHUZGMB-RBUKOAKNSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115335740
2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 64595857
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 79458461
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide (CID 99696313) is 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(N[C@@H]2CCCC[C@H]2C2=CCCCC2)CC1.
What is the InChIKey of 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VLTIORNOHUZGMB-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H35N3O/c1-21-20(24)15-23-13-11-17(12-14-23)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h7,17-19,22H,2-6,8-15H2,1H3,(H,21,24)/t18-,19+/m0/s1.
What are the key properties of 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 333.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 99696313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).