1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C26H32BrN3O2 — CID 24504712

IUPAC1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H32BrN3O2/c27-24-10-8-21(9-11-24)26(32)30-16-12-20(13-17-30)25(31)28-18-22-6-2-3-7-23(22)19-29-14-4-1-5-15-29/h2-3,6-11,20H,1,4-5,12-19H2,(H,28,31)
InChIKeyVVJUMSZBSAVYSJ-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 24504712) has the molecular formula C26H32BrN3O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID24504712
Molecular FormulaC26H32BrN3O2
Molecular Weight498.47 g/mol
Exact Mass497.17
IUPAC Name1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H32BrN3O2/c27-24-10-8-21(9-11-24)26(32)30-16-12-20(13-17-30)25(31)28-18-22-6-2-3-7-23(22)19-29-14-4-1-5-15-29/h2-3,6-11,20H,1,4-5,12-19H2,(H,28,31)
InChIKeyVVJUMSZBSAVYSJ-UHFFFAOYSA-N
XLogP4.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9069109
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
(3S)-1,1-dioxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiolane-3-carboxamide
CID 95254525
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 24504712) is 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is VVJUMSZBSAVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN3O2/c27-24-10-8-21(9-11-24)26(32)30-16-12-20(13-17-30)25(31)28-18-22-6-2-3-7-23(22)19-29-14-4-1-5-15-29/h2-3,6-11,20H,1,4-5,12-19H2,(H,28,31).
What are the key properties of 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24504712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).