1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide

C20H27BrN2O2 — CID 1004010

IUPAC1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H27BrN2O2/c21-17-9-7-16(8-10-17)20(25)23-13-11-15(12-14-23)19(24)22-18-5-3-1-2-4-6-18/h7-10,15,18H,1-6,11-14H2,(H,22,24)
InChIKeySTIWEMURFXHXLF-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide

1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide (PubChem CID 1004010) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide
PubChem CID1004010
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H27BrN2O2/c21-17-9-7-16(8-10-17)20(25)23-13-11-15(12-14-23)19(24)22-18-5-3-1-2-4-6-18/h7-10,15,18H,1-6,11-14H2,(H,22,24)
InChIKeySTIWEMURFXHXLF-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide (CID 1004010) is 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide?
The InChIKey is STIWEMURFXHXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c21-17-9-7-16(8-10-17)20(25)23-13-11-15(12-14-23)19(24)22-18-5-3-1-2-4-6-18/h7-10,15,18H,1-6,11-14H2,(H,22,24).
What are the key properties of 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-cycloheptylpiperidine-4-carboxamide is sourced from PubChem (CID 1004010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).