1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide

C20H29BrN2O — CID 47036265

IUPAC1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H29BrN2O/c1-16-6-2-4-14-23(16)15-5-3-13-22-19(24)20(11-12-20)17-7-9-18(21)10-8-17/h7-10,16H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyMIIMBQUBQYUXTG-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.25
Rot. Bonds7

About 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide (PubChem CID 47036265) has the molecular formula C20H29BrN2O and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
PubChem CID47036265
Molecular FormulaC20H29BrN2O
Molecular Weight393.37 g/mol
Exact Mass392.15
IUPAC Name1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H29BrN2O/c1-16-6-2-4-14-23(16)15-5-3-13-22-19(24)20(11-12-20)17-7-9-18(21)10-8-17/h7-10,16H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyMIIMBQUBQYUXTG-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 53110533
1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 124754889
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 60556146
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097465
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 49194889
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 104851771

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide (CID 47036265) is 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide is CC1CCCCN1CCCCNC(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The InChIKey is MIIMBQUBQYUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O/c1-16-6-2-4-14-23(16)15-5-3-13-22-19(24)20(11-12-20)17-7-9-18(21)10-8-17/h7-10,16H,2-6,11-15H2,1H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).