N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide

C24H33N3O3 — CID 142428251

IUPACN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide
SMILESC=CC1=C(C=C)CN(CC(O)CNC(=O)N2CCCC(Oc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N3O3/c1-3-19-12-14-26(16-20(19)4-2)17-21(28)15-25-24(29)27-13-8-11-23(18-27)30-22-9-6-5-7-10-22/h3-7,9-10,21,23,28H,1-2,8,11-18H2,(H,25,29)
InChIKeyNQYQCJANKOOMDV-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.97
Rot. Bonds8

About N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide

N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide (PubChem CID 142428251) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide
PubChem CID142428251
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide
SMILESC=CC1=C(C=C)CN(CC(O)CNC(=O)N2CCCC(Oc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N3O3/c1-3-19-12-14-26(16-20(19)4-2)17-21(28)15-25-24(29)27-13-8-11-23(18-27)30-22-9-6-5-7-10-22/h3-7,9-10,21,23,28H,1-2,8,11-18H2,(H,25,29)
InChIKeyNQYQCJANKOOMDV-UHFFFAOYSA-N
XLogP2.97
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide (CID 142428251) is N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide is C=CC1=C(C=C)CN(CC(O)CNC(=O)N2CCCC(Oc3ccccc3)C2)CC1.
What is the InChIKey of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide?
The InChIKey is NQYQCJANKOOMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-19-12-14-26(16-20(19)4-2)17-21(28)15-25-24(29)27-13-8-11-23(18-27)30-22-9-6-5-7-10-22/h3-7,9-10,21,23,28H,1-2,8,11-18H2,(H,25,29).
What are the key properties of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide?
N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide is sourced from PubChem (CID 142428251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).