[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone

C21H30N2O3 — CID 119734536

IUPAC[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)C3COCCN3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)13-16-3-5-17(6-4-16)20(24)18-7-10-23(11-8-18)21(25)19-14-26-12-9-22-19/h3-6,15,18-19,22H,7-14H2,1-2H3
InChIKeyDPJFNVQKBULTHG-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.29
Rot. Bonds5

About [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone

[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 119734536) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID119734536
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)C3COCCN3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)13-16-3-5-17(6-4-16)20(24)18-7-10-23(11-8-18)21(25)19-14-26-12-9-22-19/h3-6,15,18-19,22H,7-14H2,1-2H3
InChIKeyDPJFNVQKBULTHG-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119734575
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119698256
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone (CID 119734536) is [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone is CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C3COCCN3)CC2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is DPJFNVQKBULTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)13-16-3-5-17(6-4-16)20(24)18-7-10-23(11-8-18)21(25)19-14-26-12-9-22-19/h3-6,15,18-19,22H,7-14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone?
[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 358.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 119734536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).