1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C26H34N2O3 — CID 1078674

IUPAC1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-26(2,3)22-9-7-21(8-10-22)25(30)28-17-14-20(15-18-28)24(29)27-16-13-19-5-11-23(31-4)12-6-19/h5-12,20H,13-18H2,1-4H3,(H,27,29)
InChIKeyNSFPFWCTTVQBAH-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 1078674) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID1078674
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-26(2,3)22-9-7-21(8-10-22)25(30)28-17-14-20(15-18-28)24(29)27-16-13-19-5-11-23(31-4)12-6-19/h5-12,20H,13-18H2,1-4H3,(H,27,29)
InChIKeyNSFPFWCTTVQBAH-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 1078674) is 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is NSFPFWCTTVQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-26(2,3)22-9-7-21(8-10-22)25(30)28-17-14-20(15-18-28)24(29)27-16-13-19-5-11-23(31-4)12-6-19/h5-12,20H,13-18H2,1-4H3,(H,27,29).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1078674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).