N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C23H34N4O3 — CID 86886437

IUPACN-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H34N4O3/c28-22(26-14-16-30-17-15-26)21(19-6-2-1-3-7-19)18-24-23(29)27-12-8-20(9-13-27)25-10-4-5-11-25/h1-3,6-7,20-21H,4-5,8-18H2,(H,24,29)
InChIKeyKOCNRIVGXCKAJA-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.90
Rot. Bonds5

About N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 86886437) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID86886437
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H34N4O3/c28-22(26-14-16-30-17-15-26)21(19-6-2-1-3-7-19)18-24-23(29)27-12-8-20(9-13-27)25-10-4-5-11-25/h1-3,6-7,20-21H,4-5,8-18H2,(H,24,29)
InChIKeyKOCNRIVGXCKAJA-UHFFFAOYSA-N
XLogP1.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 86886437) is N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(NCC(C(=O)N1CCOCC1)c1ccccc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is KOCNRIVGXCKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-22(26-14-16-30-17-15-26)21(19-6-2-1-3-7-19)18-24-23(29)27-12-8-20(9-13-27)25-10-4-5-11-25/h1-3,6-7,20-21H,4-5,8-18H2,(H,24,29).
What are the key properties of N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 86886437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).