1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide

C14H25N3O — CID 169170352

IUPAC1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide
SMILESC/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13/h5-6,12-13H,7-10H2,1-4H3,(H,16,18)/b6-5-,15-11-
InChIKeyHZYNDMRCLAGTDR-GKNGPQKESA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds4

About 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide

1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide (PubChem CID 169170352) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide
PubChem CID169170352
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide
SMILESC/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13/h5-6,12-13H,7-10H2,1-4H3,(H,16,18)/b6-5-,15-11-
InChIKeyHZYNDMRCLAGTDR-GKNGPQKESA-N
XLogP1.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
CID 143189390
N-methyl-1-[(1Z)-3-methyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]piperidine-4-carboxamide
CID 144075765
ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
CID 169170351
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
1-N,1-N-dimethyl-4-N-[(E)-pent-3-enyl]piperidine-1,4-dicarboxamide
CID 115627671
7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
CID 143189391
2-hydroxy-N-[(1-isobutyryl-4-piperidinyl)methyl]-6-methyl-4-pyrimidinecarboxamide
CID 162628277

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide (CID 169170352) is 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide is C/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide?
The InChIKey is HZYNDMRCLAGTDR-GKNGPQKESA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13/h5-6,12-13H,7-10H2,1-4H3,(H,16,18)/b6-5-,15-11-.
What are the key properties of 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide?
1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 169170352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).