1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C23H36N4O — CID 45226362

IUPAC1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)/C=C/CN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-19(2)6-4-12-26-14-9-22(10-15-26)27-13-5-8-21(18-27)23(28)25-17-20-7-3-11-24-16-20/h3-4,6-7,11,16,19,21-22H,5,8-10,12-15,17-18H2,1-2H3,(H,25,28)/b6-4+
InChIKeyQSOGISHIZIDIFE-GQCTYLIASA-N
MW384.57 g/mol
LogP3.09
Rot. Bonds7

About 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 45226362) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID45226362
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)/C=C/CN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-19(2)6-4-12-26-14-9-22(10-15-26)27-13-5-8-21(18-27)23(28)25-17-20-7-3-11-24-16-20/h3-4,6-7,11,16,19,21-22H,5,8-10,12-15,17-18H2,1-2H3,(H,25,28)/b6-4+
InChIKeyQSOGISHIZIDIFE-GQCTYLIASA-N
XLogP3.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[1-(4-methylpentyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95455862
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56863504
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
(3S)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574704

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 45226362) is 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CC(C)/C=C/CN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1.
What is the InChIKey of 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is QSOGISHIZIDIFE-GQCTYLIASA-N. The full InChI is InChI=1S/C23H36N4O/c1-19(2)6-4-12-26-14-9-22(10-15-26)27-13-5-8-21(18-27)23(28)25-17-20-7-3-11-24-16-20/h3-4,6-7,11,16,19,21-22H,5,8-10,12-15,17-18H2,1-2H3,(H,25,28)/b6-4+.
What are the key properties of 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45226362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).