(Z)-18-piperazin-1-yloctadec-9-enamide

C22H43N3O — CID 67992016

IUPAC(Z)-18-piperazin-1-yloctadec-9-enamide
SMILESNC(=O)CCCCCCC/C=C\CCCCCCCCN1CCNCC1
InChIInChI=1S/C22H43N3O/c23-22(26)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-20-17-24-18-21-25/h1-2,24H,3-21H2,(H2,23,26)/b2-1-
InChIKeyNEDZPKMQCKMPKK-UPHRSURJSA-N
MW365.61 g/mol
LogP4.39
Rot. Bonds17

About (Z)-18-piperazin-1-yloctadec-9-enamide

(Z)-18-piperazin-1-yloctadec-9-enamide (PubChem CID 67992016) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is (Z)-18-piperazin-1-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-18-piperazin-1-yloctadec-9-enamide
PubChem CID67992016
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name(Z)-18-piperazin-1-yloctadec-9-enamide
SMILESNC(=O)CCCCCCC/C=C\CCCCCCCCN1CCNCC1
InChIInChI=1S/C22H43N3O/c23-22(26)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-20-17-24-18-21-25/h1-2,24H,3-21H2,(H2,23,26)/b2-1-
InChIKeyNEDZPKMQCKMPKK-UPHRSURJSA-N
XLogP4.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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6-piperazin-1-ylhexanoic acid
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icosa-8,12-dienediamide
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11-pyrrolidin-1-ylundecanamide
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1-oct-7-enylpiperazine
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ethyl 7-piperazin-1-ylheptanoate
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octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954

Frequently Asked Questions

What is the IUPAC name of (Z)-18-piperazin-1-yloctadec-9-enamide?
The IUPAC name of (Z)-18-piperazin-1-yloctadec-9-enamide (CID 67992016) is (Z)-18-piperazin-1-yloctadec-9-enamide.
What is the SMILES notation for (Z)-18-piperazin-1-yloctadec-9-enamide?
The canonical SMILES for (Z)-18-piperazin-1-yloctadec-9-enamide is NC(=O)CCCCCCC/C=C\CCCCCCCCN1CCNCC1.
What is the InChIKey of (Z)-18-piperazin-1-yloctadec-9-enamide?
The InChIKey is NEDZPKMQCKMPKK-UPHRSURJSA-N. The full InChI is InChI=1S/C22H43N3O/c23-22(26)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-20-17-24-18-21-25/h1-2,24H,3-21H2,(H2,23,26)/b2-1-.
What are the key properties of (Z)-18-piperazin-1-yloctadec-9-enamide?
(Z)-18-piperazin-1-yloctadec-9-enamide has a molecular weight of 365.61 g/mol, XLogP of 4.39, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-piperazin-1-yloctadec-9-enamide is sourced from PubChem (CID 67992016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).