1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide

C13H22N2O — CID 91560293

IUPAC1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H]1CCCCN1C1(C(N)=O)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11-,13?/m0/s1
InChIKeySFDNQBLLTFCMQQ-AMGKYWFPSA-N
MW222.33 g/mol
LogP1.83
Rot. Bonds2

About 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide

1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 91560293) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
PubChem CID91560293
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H]1CCCCN1C1(C(N)=O)CC=CCC1
InChIInChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11-,13?/m0/s1
InChIKeySFDNQBLLTFCMQQ-AMGKYWFPSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
CID 90333869
1-(3-Cyclohexen-1-ylcarbonyl)-4-methylpiperazine
CID 3052997
N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
CID 90791148
(1s,2s)-2-Methylpiperidinyl-3-cyclohexen-1-carboxamide
CID 129852257
4-Acetyl-9-iodo-3-methyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione
CID 21631346
6-Ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide
CID 67815525
1-[3-(4-Methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70510303
(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
CID 89352310
(1S)-1-(2-methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
CID 118557953
2-(Dimethylamino)-4-methyloct-6-enamide
CID 124000010
(1S)-N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
CID 129186411
ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
CID 142187737

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide (CID 91560293) is 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide is C[C@H]1CCCCN1C1(C(N)=O)CC=CCC1.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SFDNQBLLTFCMQQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-7-3-6-10-15(11)13(12(14)16)8-4-2-5-9-13/h2,4,11H,3,5-10H2,1H3,(H2,14,16)/t11-,13?/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide?
1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91560293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).