N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C23H35N3O3 — CID 24817641

IUPACN-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O3/c1-18-5-8-20(9-6-18)23(2,3)24-22(28)19-7-10-21(27)26(17-19)12-4-11-25-13-15-29-16-14-25/h5-6,8-9,19H,4,7,10-17H2,1-3H3,(H,24,28)
InChIKeyLWHSQWCGHLERLY-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24817641) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24817641
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H35N3O3/c1-18-5-8-20(9-6-18)23(2,3)24-22(28)19-7-10-21(27)26(17-19)12-4-11-25-13-15-29-16-14-25/h5-6,8-9,19H,4,7,10-17H2,1-3H3,(H,24,28)
InChIKeyLWHSQWCGHLERLY-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24817641) is N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LWHSQWCGHLERLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-18-5-8-20(9-6-18)23(2,3)24-22(28)19-7-10-21(27)26(17-19)12-4-11-25-13-15-29-16-14-25/h5-6,8-9,19H,4,7,10-17H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)propan-2-yl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).