3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate

C14H26N2O2 — CID 91043993

IUPAC3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
SMILESCC(OC(=O)NCC1CCCNC1)=C(C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)11(3)12(4)18-14(17)16-9-13-6-5-7-15-8-13/h10,13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyCFJBWCBMCOZUCR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.66
Rot. Bonds4

About 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate

3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate (PubChem CID 91043993) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
PubChem CID91043993
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
SMILESCC(OC(=O)NCC1CCCNC1)=C(C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)11(3)12(4)18-14(17)16-9-13-6-5-7-15-8-13/h10,13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyCFJBWCBMCOZUCR-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
methyl (Z)-3-(piperidin-3-ylmethylamino)but-2-enoate
CID 67572373
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
CID 80563571
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate (CID 91043993) is 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate is CC(OC(=O)NCC1CCCNC1)=C(C)C(C)C.
What is the InChIKey of 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is CFJBWCBMCOZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)11(3)12(4)18-14(17)16-9-13-6-5-7-15-8-13/h10,13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate?
3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 91043993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).