1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide

C14H25N3O2 — CID 115628009

IUPAC1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
SMILESC/C=C/CCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-4-5-6-9-15-13(18)12-8-7-10-17(11-12)14(19)16(2)3/h4-5,12H,6-11H2,1-3H3,(H,15,18)/b5-4+
InChIKeyBMBJFSBSGADLGV-SNAWJCMRSA-N
MW267.37 g/mol
LogP1.46
Rot. Bonds4

About 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide (PubChem CID 115628009) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
PubChem CID115628009
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
SMILESC/C=C/CCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-4-5-6-9-15-13(18)12-8-7-10-17(11-12)14(19)16(2)3/h4-5,12H,6-11H2,1-3H3,(H,15,18)/b5-4+
InChIKeyBMBJFSBSGADLGV-SNAWJCMRSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.46
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

(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
3-N-[(3-hydroxycyclobutyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 66004333
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
3-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 114751024
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide (CID 115628009) is 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide is C/C=C/CCNC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide?
The InChIKey is BMBJFSBSGADLGV-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-6-9-15-13(18)12-8-7-10-17(11-12)14(19)16(2)3/h4-5,12H,6-11H2,1-3H3,(H,15,18)/b5-4+.
What are the key properties of 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 115628009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).