2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide

C19H35N3O — CID 45212351

IUPAC2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3C(C)(C)C3(C)C)C2)CC1
InChIInChI=1S/C19H35N3O/c1-18(2)16(19(18,3)4)17(23)20-14-7-6-10-22(13-14)15-8-11-21(5)12-9-15/h14-16H,6-13H2,1-5H3,(H,20,23)
InChIKeyYCLKWVCWITWWAT-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.34
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 45212351) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID45212351
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3C(C)(C)C3(C)C)C2)CC1
InChIInChI=1S/C19H35N3O/c1-18(2)16(19(18,3)4)17(23)20-14-7-6-10-22(13-14)15-8-11-21(5)12-9-15/h14-16H,6-13H2,1-5H3,(H,20,23)
InChIKeyYCLKWVCWITWWAT-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide (CID 45212351) is 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide is CN1CCC(N2CCCC(NC(=O)C3C(C)(C)C3(C)C)C2)CC1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YCLKWVCWITWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-18(2)16(19(18,3)4)17(23)20-14-7-6-10-22(13-14)15-8-11-21(5)12-9-15/h14-16H,6-13H2,1-5H3,(H,20,23).
What are the key properties of 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 321.51 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 45212351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).