1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide

C13H23N3O2 — CID 108911524

IUPAC1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide
SMILESCC(C)(C)/C=C/NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)6-7-15-12(18)16-8-4-10(5-9-16)11(14)17/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,17)(H,15,18)/b7-6+
InChIKeyHCRHANUSXKCPSL-VOTSOKGWSA-N
MW253.35 g/mol
LogP1.45
Rot. Bonds2

About 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide

1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide (PubChem CID 108911524) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide
PubChem CID108911524
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide
SMILESCC(C)(C)/C=C/NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)6-7-15-12(18)16-8-4-10(5-9-16)11(14)17/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,17)(H,15,18)/b7-6+
InChIKeyHCRHANUSXKCPSL-VOTSOKGWSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
CID 108911412
N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide
CID 108911477
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
1-N-(cyclopentylidenemethyl)piperidine-1,4-dicarboxamide
CID 108913707
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
CID 82109099
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
N-[(E)-3,3-dimethylbut-1-enyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108911512
1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 113416458

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide (CID 108911524) is 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide is CC(C)(C)/C=C/NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide?
The InChIKey is HCRHANUSXKCPSL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)6-7-15-12(18)16-8-4-10(5-9-16)11(14)17/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,17)(H,15,18)/b7-6+.
What are the key properties of 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide?
1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 108911524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).