N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide

C14H27N3O — CID 79313592

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CCCCN1
InChIInChI=1S/C14H27N3O/c1-3-17-10-6-7-12(17)11-16(2)14(18)13-8-4-5-9-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRCHDNVAUAABOAR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 79313592) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID79313592
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CCCCN1
InChIInChI=1S/C14H27N3O/c1-3-17-10-6-7-12(17)11-16(2)14(18)13-8-4-5-9-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRCHDNVAUAABOAR-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 79313592) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is CCN1CCCC1CN(C)C(=O)C1CCCCN1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is RCHDNVAUAABOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17-10-6-7-12(17)11-16(2)14(18)13-8-4-5-9-15-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79313592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).