[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H30N2O — CID 56702288

IUPAC[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC=CCC(C)(C)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-9-17(2,3)14-18-12-7-15(8-13-18)16(20)19-10-5-6-11-19/h4,15H,1,5-14H2,2-3H3
InChIKeyKNNKDVQNYSFVCE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.92
Rot. Bonds5

About [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56702288) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56702288
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC=CCC(C)(C)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-9-17(2,3)14-18-12-7-15(8-13-18)16(20)19-10-5-6-11-19/h4,15H,1,5-14H2,2-3H3
InChIKeyKNNKDVQNYSFVCE-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 6579812
CID 44782287
1-Methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 86255489
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
8-But-3-enoyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 50973673
1-Methyl-4-prop-2-enylpyrrolidin-2-one
CID 67434574
3-Ethenyl-1-hexylpyrrolidin-2-one
CID 68985602
1-(3-Methyl-3-prop-1-en-2-ylpyrrolidin-1-yl)-2-propan-2-ylbut-3-en-1-one
CID 123374032
2,2-Diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one
CID 129252512
1-(3,3-Diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one
CID 129252513
2,2-Diethyl-1-piperidin-1-ylpent-4-en-1-one
CID 129252531
1-(2,2-Diethylpent-4-enoyl)piperidine-4-carboxamide
CID 131965652

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56702288) is [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is C=CCC(C)(C)CN1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KNNKDVQNYSFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-9-17(2,3)14-18-12-7-15(8-13-18)16(20)19-10-5-6-11-19/h4,15H,1,5-14H2,2-3H3.
What are the key properties of [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 278.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56702288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).