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

C19H34N4O2 — CID 167018689

IUPACN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N2CCC(CNC(=O)C3CCNCC3)C2)CC1
InChIInChI=1S/C19H34N4O2/c1-2-22-10-6-17(7-11-22)19(25)23-12-5-15(14-23)13-21-18(24)16-3-8-20-9-4-16/h15-17,20H,2-14H2,1H3,(H,21,24)
InChIKeyBJVOSTJLHWNODF-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.68
Rot. Bonds5

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

N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 167018689) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID167018689
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N2CCC(CNC(=O)C3CCNCC3)C2)CC1
InChIInChI=1S/C19H34N4O2/c1-2-22-10-6-17(7-11-22)19(25)23-12-5-15(14-23)13-21-18(24)16-3-8-20-9-4-16/h15-17,20H,2-14H2,1H3,(H,21,24)
InChIKeyBJVOSTJLHWNODF-UHFFFAOYSA-N
XLogP0.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.68
H-Bond Donors ≤ 52
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]piperidine-4-carboxamide?
The IUPAC name of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (CID 167018689) is N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is CCN1CCC(C(=O)N2CCC(CNC(=O)C3CCNCC3)C2)CC1.
What is the InChIKey of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BJVOSTJLHWNODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-2-22-10-6-17(7-11-22)19(25)23-12-5-15(14-23)13-21-18(24)16-3-8-20-9-4-16/h15-17,20H,2-14H2,1H3,(H,21,24).
What are the key properties of N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 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]piperidine-4-carboxamide is sourced from PubChem (CID 167018689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).