N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide

C20H25N3O4 — CID 166411399

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H25N3O4/c1-2-18(24)23-8-4-6-16(14-23)19(25)21-17-7-3-5-15(13-17)20(26)22-9-11-27-12-10-22/h2-3,5,7,13,16H,1,4,6,8-12,14H2,(H,21,25)
InChIKeyMKOWWMXDJFKHOI-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166411399) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166411399
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H25N3O4/c1-2-18(24)23-8-4-6-16(14-23)19(25)21-17-7-3-5-15(13-17)20(26)22-9-11-27-12-10-22/h2-3,5,7,13,16H,1,4,6,8-12,14H2,(H,21,25)
InChIKeyMKOWWMXDJFKHOI-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.52
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

N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321
N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166411399) is N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is MKOWWMXDJFKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-18(24)23-8-4-6-16(14-23)19(25)21-17-7-3-5-15(13-17)20(26)22-9-11-27-12-10-22/h2-3,5,7,13,16H,1,4,6,8-12,14H2,(H,21,25).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166411399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).