N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide

C20H27N3O2 — CID 103598850

IUPACN-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)C=Cc2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(10-9-17-8-4-5-13-21-17)23-14-11-18(12-15-23)22-20(25)16-6-2-1-3-7-16/h4-5,8-10,13,16,18H,1-3,6-7,11-12,14-15H2,(H,22,25)
InChIKeyUUMXLQARUNKCJN-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 103598850) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID103598850
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)C=Cc2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(10-9-17-8-4-5-13-21-17)23-14-11-18(12-15-23)22-20(25)16-6-2-1-3-7-16/h4-5,8-10,13,16,18H,1-3,6-7,11-12,14-15H2,(H,22,25)
InChIKeyUUMXLQARUNKCJN-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
CID 167868580
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
CID 75417785
1-[4-[4-[4-(cyclohexylamino)piperidin-1-yl]piperazine-1-carbonyl]phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 67013505
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 126779902
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75407533

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide (CID 103598850) is N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)C=Cc2ccccn2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is UUMXLQARUNKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(10-9-17-8-4-5-13-21-17)23-14-11-18(12-15-23)22-20(25)16-6-2-1-3-7-16/h4-5,8-10,13,16,18H,1-3,6-7,11-12,14-15H2,(H,22,25).
What are the key properties of N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 103598850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).