piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate

C24H28N4O4 — CID 67013581

IUPACpiperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1)OC1CCNCC1
InChIInChI=1S/C24H28N4O4/c29-22(9-8-19-2-1-3-23(26-19)28-14-16-31-17-15-28)18-4-6-20(7-5-18)27-24(30)32-21-10-12-25-13-11-21/h1-9,21,25H,10-17H2,(H,27,30)
InChIKeyYCPGSYONJRCUBS-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.11
Rot. Bonds6

About piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate

piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate (PubChem CID 67013581) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
PubChem CID67013581
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namepiperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1)OC1CCNCC1
InChIInChI=1S/C24H28N4O4/c29-22(9-8-19-2-1-3-23(26-19)28-14-16-31-17-15-28)18-4-6-20(7-5-18)27-24(30)32-21-10-12-25-13-11-21/h1-9,21,25H,10-17H2,(H,27,30)
InChIKeyYCPGSYONJRCUBS-UHFFFAOYSA-N
XLogP3.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
CID 67014396
(1-methylpyrrol-3-yl) N-[4-[(E)-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
CID 67013315
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
1-[2-[[2-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]anilino]-2-oxoacetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 69307126
4-[(E)-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoyl azide
CID 140527248
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
thiophen-2-ylmethyl N-[4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67013987
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
6-morpholin-4-yl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708177
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
CID 79337796
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate?
The IUPAC name of piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate (CID 67013581) is piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate.
What is the SMILES notation for piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate?
The canonical SMILES for piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate is O=C(Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate?
The InChIKey is YCPGSYONJRCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(9-8-19-2-1-3-23(26-19)28-14-16-31-17-15-28)18-4-6-20(7-5-18)27-24(30)32-21-10-12-25-13-11-21/h1-9,21,25H,10-17H2,(H,27,30).
What are the key properties of piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate?
piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate is sourced from PubChem (CID 67013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).