N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide

C17H21BrN2O — CID 154752837

IUPACN-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide
SMILESCC#CCCN1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C17H21BrN2O/c1-2-3-6-11-20-12-9-14(10-13-20)17(21)19-16-8-5-4-7-15(16)18/h4-5,7-8,14H,6,9-13H2,1H3,(H,19,21)
InChIKeyZJYZAKZOXLORQJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.51
Rot. Bonds4

About N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide

N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide (PubChem CID 154752837) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide
PubChem CID154752837
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide
SMILESCC#CCCN1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C17H21BrN2O/c1-2-3-6-11-20-12-9-14(10-13-20)17(21)19-16-8-5-4-7-15(16)18/h4-5,7-8,14H,6,9-13H2,1H3,(H,19,21)
InChIKeyZJYZAKZOXLORQJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795332
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768316
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
CID 123664942
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide (CID 154752837) is N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide is CC#CCCN1CCC(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide?
The InChIKey is ZJYZAKZOXLORQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-3-6-11-20-12-9-14(10-13-20)17(21)19-16-8-5-4-7-15(16)18/h4-5,7-8,14H,6,9-13H2,1H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide?
N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 154752837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).