N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C22H33N5O2 — CID 53165781

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C22H33N5O2/c28-22(24-9-6-18-4-2-1-3-5-18)19-7-10-26(11-8-19)20-16-23-17-25-21(20)27-12-14-29-15-13-27/h4,16-17,19H,1-3,5-15H2,(H,24,28)
InChIKeyDNOSRDYTXMTFNN-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165781) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165781
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C22H33N5O2/c28-22(24-9-6-18-4-2-1-3-5-18)19-7-10-26(11-8-19)20-16-23-17-25-21(20)27-12-14-29-15-13-27/h4,16-17,19H,1-3,5-15H2,(H,24,28)
InChIKeyDNOSRDYTXMTFNN-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165781) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is DNOSRDYTXMTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-22(24-9-6-18-4-2-1-3-5-18)19-7-10-26(11-8-19)20-16-23-17-25-21(20)27-12-14-29-15-13-27/h4,16-17,19H,1-3,5-15H2,(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).