N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide

C22H33N3O — CID 143091402

IUPACN-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
SMILESC=CCCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O/c1-2-3-7-19-10-16-25(17-11-19)22(26)23-21-12-14-24(15-13-21)18-20-8-5-4-6-9-20/h2,4-6,8-9,19,21H,1,3,7,10-18H2,(H,23,26)
InChIKeyJLZCQHWSPISTML-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.04
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide

N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide (PubChem CID 143091402) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
PubChem CID143091402
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
SMILESC=CCCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O/c1-2-3-7-19-10-16-25(17-11-19)22(26)23-21-12-14-24(15-13-21)18-20-8-5-4-6-9-20/h2,4-6,8-9,19,21H,1,3,7,10-18H2,(H,23,26)
InChIKeyJLZCQHWSPISTML-UHFFFAOYSA-N
XLogP4.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
CID 127574650
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
N-[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]-4-benzylpiperazine-1-carboxamide
CID 11642107
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154904810
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 127591342

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide (CID 143091402) is N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide is C=CCCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide?
The InChIKey is JLZCQHWSPISTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-2-3-7-19-10-16-25(17-11-19)22(26)23-21-12-14-24(15-13-21)18-20-8-5-4-6-9-20/h2,4-6,8-9,19,21H,1,3,7,10-18H2,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide is sourced from PubChem (CID 143091402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).