(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide

C21H31N3O2 — CID 110303397

IUPAC(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,16H,8-15,17H2,1-2H3,(H,22,25)/b18-16+
InChIKeyLAINDGMWRCOZNE-FBMGVBCBSA-N
MW357.50 g/mol
LogP2.00
Rot. Bonds5

About (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide

(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide (PubChem CID 110303397) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
PubChem CID110303397
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,16H,8-15,17H2,1-2H3,(H,22,25)/b18-16+
InChIKeyLAINDGMWRCOZNE-FBMGVBCBSA-N
XLogP2.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31328196
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
CID 134028185

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide (CID 110303397) is (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1.
What is the InChIKey of (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide?
The InChIKey is LAINDGMWRCOZNE-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,16H,8-15,17H2,1-2H3,(H,22,25)/b18-16+.
What are the key properties of (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide?
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide has a molecular weight of 357.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 110303397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).