N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide

C19H34N2O — CID 71888285

IUPACN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCCN1CCC(N(C)C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C19H34N2O/c1-7-10-21-11-8-15(9-12-21)20(6)18(22)17-16(13-14(2)3)19(17,4)5/h13,15-17H,7-12H2,1-6H3
InChIKeyBDSXXBHKLXTUBO-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.56
Rot. Bonds5

About N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide

N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 71888285) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID71888285
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCCN1CCC(N(C)C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C19H34N2O/c1-7-10-21-11-8-15(9-12-21)20(6)18(22)17-16(13-14(2)3)19(17,4)5/h13,15-17H,7-12H2,1-6H3
InChIKeyBDSXXBHKLXTUBO-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 71888285) is N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide is CCCN1CCC(N(C)C(=O)C2C(C=C(C)C)C2(C)C)CC1.
What is the InChIKey of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is BDSXXBHKLXTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-7-10-21-11-8-15(9-12-21)20(6)18(22)17-16(13-14(2)3)19(17,4)5/h13,15-17H,7-12H2,1-6H3.
What are the key properties of N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide?
N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 306.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-(1-propylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71888285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).