N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide

C25H31N3O3 — CID 46037987

IUPACN-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H31N3O3/c29-24(11-10-20-6-2-1-3-7-20)26-21-12-14-27(15-13-21)23-9-5-4-8-22(23)25(30)28-16-18-31-19-17-28/h1-9,21H,10-19H2,(H,26,29)
InChIKeyLCESPGWGMWSGQX-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.88
Rot. Bonds6

About N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46037987) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID46037987
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H31N3O3/c29-24(11-10-20-6-2-1-3-7-20)26-21-12-14-27(15-13-21)23-9-5-4-8-22(23)25(30)28-16-18-31-19-17-28/h1-9,21H,10-19H2,(H,26,29)
InChIKeyLCESPGWGMWSGQX-UHFFFAOYSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-2-phenoxyacetamide
CID 46038010
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
CID 46038618
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide (CID 46037987) is N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is LCESPGWGMWSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(11-10-20-6-2-1-3-7-20)26-21-12-14-27(15-13-21)23-9-5-4-8-22(23)25(30)28-16-18-31-19-17-28/h1-9,21H,10-19H2,(H,26,29).
What are the key properties of N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 421.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46037987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).