1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide

C24H28N4O2 — CID 32951936

IUPAC1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c29-23(11-8-19-6-2-1-3-7-19)28-16-12-20(13-17-28)24(30)26-22-10-9-21(18-25-22)27-14-4-5-15-27/h1-3,6-11,18,20H,4-5,12-17H2,(H,25,26,30)/b11-8+
InChIKeyVBPOHJBHVLSXBY-DHZHZOJOSA-N
MW404.51 g/mol
LogP3.57
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide

1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 32951936) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID32951936
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c29-23(11-8-19-6-2-1-3-7-19)28-16-12-20(13-17-28)24(30)26-22-10-9-21(18-25-22)27-14-4-5-15-27/h1-3,6-11,18,20H,4-5,12-17H2,(H,25,26,30)/b11-8+
InChIKeyVBPOHJBHVLSXBY-DHZHZOJOSA-N
XLogP3.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.57
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

1-[(E)-3-phenylprop-2-enoyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 46461401
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 113029514
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
1-(naphthalene-1-carbonyl)-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 71895394
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 48507742
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 9361387
N-[5-[(E)-3-oxo-3-(4-phenyl-2,3,6,7-tetrahydroazepin-1-yl)prop-1-enyl]-2-pyridinyl]cyclopentanecarboxamide
CID 90061315
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide (CID 32951936) is 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cn1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is VBPOHJBHVLSXBY-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(11-8-19-6-2-1-3-7-19)28-16-12-20(13-17-28)24(30)26-22-10-9-21(18-25-22)27-14-4-5-15-27/h1-3,6-11,18,20H,4-5,12-17H2,(H,25,26,30)/b11-8+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide?
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 32951936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).