N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide

C15H29N3O — CID 107163864

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2(C)CCN(C)CC2)CCCN1
InChIInChI=1S/C15H29N3O/c1-4-15(6-5-9-17-15)13(19)16-12-14(2)7-10-18(3)11-8-14/h17H,4-12H2,1-3H3,(H,16,19)
InChIKeyBVACCKBMIFJCRA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 107163864) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID107163864
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2(C)CCN(C)CC2)CCCN1
InChIInChI=1S/C15H29N3O/c1-4-15(6-5-9-17-15)13(19)16-12-14(2)7-10-18(3)11-8-14/h17H,4-12H2,1-3H3,(H,16,19)
InChIKeyBVACCKBMIFJCRA-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide (CID 107163864) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC2(C)CCN(C)CC2)CCCN1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is BVACCKBMIFJCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-15(6-5-9-17-15)13(19)16-12-14(2)7-10-18(3)11-8-14/h17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107163864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).