N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide

C20H36N4O2 — CID 167018836

IUPACN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N2CCC(CNC(=O)C3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H36N4O2/c1-3-23-11-7-18(8-12-23)20(26)24-13-4-16(15-24)14-21-19(25)17-5-9-22(2)10-6-17/h16-18H,3-15H2,1-2H3,(H,21,25)
InChIKeySDFBOLGKHVECMZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.02
Rot. Bonds5

About N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide

N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 167018836) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
PubChem CID167018836
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N2CCC(CNC(=O)C3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H36N4O2/c1-3-23-11-7-18(8-12-23)20(26)24-13-4-16(15-24)14-21-19(25)17-5-9-22(2)10-6-17/h16-18H,3-15H2,1-2H3,(H,21,25)
InChIKeySDFBOLGKHVECMZ-UHFFFAOYSA-N
XLogP1.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide (CID 167018836) is N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide is CCN1CCC(C(=O)N2CCC(CNC(=O)C3CCN(C)CC3)C2)CC1.
What is the InChIKey of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is SDFBOLGKHVECMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-3-23-11-7-18(8-12-23)20(26)24-13-4-16(15-24)14-21-19(25)17-5-9-22(2)10-6-17/h16-18H,3-15H2,1-2H3,(H,21,25).
What are the key properties of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide?
N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 167018836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).