3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one

C16H30N4O2 — CID 144663994

IUPAC3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(CCCC/C(=C/N)NCCC)OC)C(=O)N1
InChIInChI=1S/C16H30N4O2/c1-4-10-18-14(12-17)7-5-6-11-20(22-3)15-9-8-13(2)19-16(15)21/h12,15,18H,2,4-11,17H2,1,3H3,(H,19,21)/b14-12-
InChIKeyJXIQPRREZFMXAI-OWBHPGMISA-N
MW310.44 g/mol
LogP1.61
Rot. Bonds10

About 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one

3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one (PubChem CID 144663994) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one
PubChem CID144663994
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(CCCC/C(=C/N)NCCC)OC)C(=O)N1
InChIInChI=1S/C16H30N4O2/c1-4-10-18-14(12-17)7-5-6-11-20(22-3)15-9-8-13(2)19-16(15)21/h12,15,18H,2,4-11,17H2,1,3H3,(H,19,21)/b14-12-
InChIKeyJXIQPRREZFMXAI-OWBHPGMISA-N
XLogP1.61
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072714
3-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135335
ethane;N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788912
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
CID 157480889
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
2-(3-amino-2-oxopiperidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400525
N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
CID 142159188
2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)propanamide
CID 158386766
2,2-dimethyl-N-(6-methylidene-2-oxopiperidin-3-yl)propanamide
CID 161408901
5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
CID 176669671

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one?
The IUPAC name of 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one (CID 144663994) is 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one is C=C1CCC(N(CCCC/C(=C/N)NCCC)OC)C(=O)N1.
What is the InChIKey of 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one?
The InChIKey is JXIQPRREZFMXAI-OWBHPGMISA-N. The full InChI is InChI=1S/C16H30N4O2/c1-4-10-18-14(12-17)7-5-6-11-20(22-3)15-9-8-13(2)19-16(15)21/h12,15,18H,2,4-11,17H2,1,3H3,(H,19,21)/b14-12-.
What are the key properties of 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one?
3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one has a molecular weight of 310.44 g/mol, XLogP of 1.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 144663994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).