N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

C26H34N4O2 — CID 45224155

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C26H34N4O2/c1-2-29(18-21-10-7-17-32-21)26(31)20-13-15-30(16-14-20)25-22-11-6-12-23(22)27-24(28-25)19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3
InChIKeyZCYMSYXVEWXCDP-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 45224155) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID45224155
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C26H34N4O2/c1-2-29(18-21-10-7-17-32-21)26(31)20-13-15-30(16-14-20)25-22-11-6-12-23(22)27-24(28-25)19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3
InChIKeyZCYMSYXVEWXCDP-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 45224155) is N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is CCN(CC1CCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ZCYMSYXVEWXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-2-29(18-21-10-7-17-32-21)26(31)20-13-15-30(16-14-20)25-22-11-6-12-23(22)27-24(28-25)19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 45224155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).