(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide

C15H28N2O — CID 164630537

IUPAC(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide
SMILESCC/C=C\CCCN1CCC[C@](CC)(C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-3-5-6-7-8-11-17-12-9-10-15(4-2,13-17)14(16)18/h5-6H,3-4,7-13H2,1-2H3,(H2,16,18)/b6-5-/t15-/m0/s1
InChIKeyCNKMNIKLBQQDTL-YVACAVLKSA-N
MW252.40 g/mol
LogP2.71
Rot. Bonds7

About (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide

(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide (PubChem CID 164630537) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide
PubChem CID164630537
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide
SMILESCC/C=C\CCCN1CCC[C@](CC)(C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-3-5-6-7-8-11-17-12-9-10-15(4-2,13-17)14(16)18/h5-6H,3-4,7-13H2,1-2H3,(H2,16,18)/b6-5-/t15-/m0/s1
InChIKeyCNKMNIKLBQQDTL-YVACAVLKSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5427570
CID 2845954
Cambridge id 5424833
CID 5721706
(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
CID 164631868
2-Methyl-2-azaspiro[5.5]undec-8-en-1-one
CID 71421676
7-Methyl-7-azaspiro[4.5]dec-2-en-6-one
CID 129915625
(3S)-3-ethyl-3-[(E)-prop-1-enyl]piperidin-2-one
CID 179076634
6-Amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324053
6-Amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324081
6-Amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324097
6-Amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
CID 23324118
1-[3-(Dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509937
1-[3-(4-Methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70510303

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide (CID 164630537) is (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide is CC/C=C\CCCN1CCC[C@](CC)(C(N)=O)C1.
What is the InChIKey of (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide?
The InChIKey is CNKMNIKLBQQDTL-YVACAVLKSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-6-7-8-11-17-12-9-10-15(4-2,13-17)14(16)18/h5-6H,3-4,7-13H2,1-2H3,(H2,16,18)/b6-5-/t15-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide?
(3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-[(Z)-hept-4-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 164630537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).